USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HD1:sc= -9.72! C(o=-13!,f=-20!) USER MOD Set 1.2: A 74 SER OG : rot 40:sc= -3.81! USER MOD Set 1.3: A 78 THR OG1 : rot 119:sc= 0.245 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.461 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -150:sc= -1.09 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.67! X(o=-1.7!,f=-2.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 60:sc= 1.04 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.71 K(o=-0.71,f=-1.2) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.49 F(o=-1.4,f=-0.49) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.12) USER MOD Single : A 81 ASN : amide:sc= -2.35! C(o=-2.4!,f=-8.2!) USER MOD Single : A 82 SER OG : rot 39:sc= 0.301 USER MOD Single : A 83 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.1) USER MOD Single : A 89 THR OG1 : rot 124:sc= 0.177 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.665 K(o=-0.67,f=-1.9) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.195) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 160:sc= -0.954 USER MOD Single : A 106 SER OG : rot 180:sc= -0.109 USER MOD Single : A 110 ASN :FLIP amide:sc= -1.23 F(o=-3.5!,f=-1.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.641 4.424 -8.541 1.00 0.00 N ATOM 2 CA GLY A 1 -27.527 3.485 -9.205 1.00 0.00 C ATOM 3 C GLY A 1 -27.515 2.127 -8.501 1.00 0.00 C ATOM 4 O GLY A 1 -26.738 1.912 -7.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.194 5.229 -8.183 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.165 3.950 -7.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.929 4.767 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.542 3.883 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.220 3.363 -10.244 1.00 0.00 H new ATOM 8 N SER A 2 -28.386 1.245 -8.969 1.00 0.00 N ATOM 9 CA SER A 2 -28.486 -0.086 -8.396 1.00 0.00 C ATOM 10 C SER A 2 -27.899 -1.117 -9.361 1.00 0.00 C ATOM 11 O SER A 2 -27.940 -0.929 -10.576 1.00 0.00 O ATOM 12 CB SER A 2 -29.938 -0.436 -8.064 1.00 0.00 C ATOM 13 OG SER A 2 -30.314 0.018 -6.767 1.00 0.00 O ATOM 0 H SER A 2 -29.029 1.427 -9.739 1.00 0.00 H new ATOM 0 HA SER A 2 -27.916 -0.101 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.597 0.009 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.073 -1.516 -8.123 1.00 0.00 H new ATOM 0 HG SER A 2 -31.248 -0.223 -6.594 1.00 0.00 H new ATOM 19 N SER A 3 -27.365 -2.184 -8.785 1.00 0.00 N ATOM 20 CA SER A 3 -26.770 -3.245 -9.580 1.00 0.00 C ATOM 21 C SER A 3 -26.303 -4.382 -8.669 1.00 0.00 C ATOM 22 O SER A 3 -25.507 -4.164 -7.757 1.00 0.00 O ATOM 23 CB SER A 3 -25.600 -2.719 -10.414 1.00 0.00 C ATOM 24 OG SER A 3 -24.436 -2.498 -9.622 1.00 0.00 O ATOM 0 H SER A 3 -27.332 -2.337 -7.777 1.00 0.00 H new ATOM 0 HA SER A 3 -27.528 -3.624 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.370 -3.432 -11.206 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.891 -1.787 -10.899 1.00 0.00 H new ATOM 0 HG SER A 3 -24.499 -3.019 -8.795 1.00 0.00 H new ATOM 30 N GLY A 4 -26.818 -5.570 -8.947 1.00 0.00 N ATOM 31 CA GLY A 4 -26.463 -6.742 -8.164 1.00 0.00 C ATOM 32 C GLY A 4 -24.954 -6.988 -8.198 1.00 0.00 C ATOM 33 O GLY A 4 -24.224 -6.516 -7.327 1.00 0.00 O ATOM 0 H GLY A 4 -27.479 -5.747 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.790 -6.607 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.986 -7.616 -8.553 1.00 0.00 H new ATOM 37 N SER A 5 -24.529 -7.726 -9.214 1.00 0.00 N ATOM 38 CA SER A 5 -23.119 -8.040 -9.373 1.00 0.00 C ATOM 39 C SER A 5 -22.644 -8.914 -8.210 1.00 0.00 C ATOM 40 O SER A 5 -23.354 -9.075 -7.219 1.00 0.00 O ATOM 41 CB SER A 5 -22.277 -6.765 -9.457 1.00 0.00 C ATOM 42 OG SER A 5 -21.751 -6.559 -10.766 1.00 0.00 O ATOM 0 H SER A 5 -25.137 -8.115 -9.935 1.00 0.00 H new ATOM 0 HA SER A 5 -22.993 -8.588 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.887 -5.908 -9.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.457 -6.824 -8.742 1.00 0.00 H new ATOM 0 HG SER A 5 -21.221 -5.735 -10.780 1.00 0.00 H new ATOM 48 N SER A 6 -21.445 -9.456 -8.371 1.00 0.00 N ATOM 49 CA SER A 6 -20.867 -10.309 -7.347 1.00 0.00 C ATOM 50 C SER A 6 -19.665 -9.614 -6.704 1.00 0.00 C ATOM 51 O SER A 6 -18.884 -8.955 -7.390 1.00 0.00 O ATOM 52 CB SER A 6 -20.449 -11.661 -7.929 1.00 0.00 C ATOM 53 OG SER A 6 -21.005 -12.751 -7.199 1.00 0.00 O ATOM 0 H SER A 6 -20.859 -9.321 -9.195 1.00 0.00 H new ATOM 0 HA SER A 6 -21.625 -10.490 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.767 -11.722 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.362 -11.738 -7.923 1.00 0.00 H new ATOM 0 HG SER A 6 -20.716 -13.596 -7.603 1.00 0.00 H new ATOM 59 N GLY A 7 -19.554 -9.785 -5.395 1.00 0.00 N ATOM 60 CA GLY A 7 -18.461 -9.182 -4.652 1.00 0.00 C ATOM 61 C GLY A 7 -17.127 -9.844 -5.005 1.00 0.00 C ATOM 62 O GLY A 7 -17.102 -10.897 -5.640 1.00 0.00 O ATOM 0 H GLY A 7 -20.203 -10.333 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.411 -8.116 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.647 -9.278 -3.582 1.00 0.00 H new ATOM 66 N MET A 8 -16.051 -9.199 -4.577 1.00 0.00 N ATOM 67 CA MET A 8 -14.718 -9.712 -4.840 1.00 0.00 C ATOM 68 C MET A 8 -14.047 -10.183 -3.548 1.00 0.00 C ATOM 69 O MET A 8 -13.824 -9.389 -2.635 1.00 0.00 O ATOM 70 CB MET A 8 -13.868 -8.617 -5.487 1.00 0.00 C ATOM 71 CG MET A 8 -14.344 -8.323 -6.911 1.00 0.00 C ATOM 72 SD MET A 8 -13.417 -9.303 -8.080 1.00 0.00 S ATOM 73 CE MET A 8 -13.925 -8.527 -9.606 1.00 0.00 C ATOM 0 H MET A 8 -16.076 -8.326 -4.050 1.00 0.00 H new ATOM 0 HA MET A 8 -14.803 -10.564 -5.514 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.921 -7.708 -4.887 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.823 -8.926 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.407 -8.545 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.220 -7.263 -7.133 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.435 -9.020 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.006 -8.612 -9.715 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.644 -7.474 -9.590 1.00 0.00 H new ATOM 83 N VAL A 9 -13.743 -11.472 -3.512 1.00 0.00 N ATOM 84 CA VAL A 9 -13.102 -12.058 -2.347 1.00 0.00 C ATOM 85 C VAL A 9 -11.888 -11.211 -1.958 1.00 0.00 C ATOM 86 O VAL A 9 -11.563 -11.091 -0.778 1.00 0.00 O ATOM 87 CB VAL A 9 -12.747 -13.520 -2.625 1.00 0.00 C ATOM 88 CG1 VAL A 9 -13.984 -14.313 -3.050 1.00 0.00 C ATOM 89 CG2 VAL A 9 -11.640 -13.625 -3.675 1.00 0.00 C ATOM 0 H VAL A 9 -13.929 -12.127 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.783 -12.059 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.372 -13.956 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.704 -15.349 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.729 -14.279 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.402 -13.877 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.407 -14.675 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.975 -13.164 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.748 -13.111 -3.316 1.00 0.00 H new ATOM 99 N THR A 10 -11.252 -10.645 -2.973 1.00 0.00 N ATOM 100 CA THR A 10 -10.082 -9.813 -2.753 1.00 0.00 C ATOM 101 C THR A 10 -10.488 -8.475 -2.132 1.00 0.00 C ATOM 102 O THR A 10 -11.159 -7.668 -2.773 1.00 0.00 O ATOM 103 CB THR A 10 -9.348 -9.666 -4.087 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.413 -10.967 -4.664 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.850 -9.413 -3.907 1.00 0.00 C ATOM 0 H THR A 10 -11.525 -10.746 -3.950 1.00 0.00 H new ATOM 0 HA THR A 10 -9.399 -10.273 -2.039 1.00 0.00 H new ATOM 0 HB THR A 10 -9.789 -8.847 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.962 -10.962 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.377 -9.316 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.702 -8.494 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.402 -10.248 -3.368 1.00 0.00 H new ATOM 113 N PRO A 11 -10.053 -8.276 -0.859 1.00 0.00 N ATOM 114 CA PRO A 11 -10.364 -7.050 -0.145 1.00 0.00 C ATOM 115 C PRO A 11 -9.511 -5.887 -0.655 1.00 0.00 C ATOM 116 O PRO A 11 -8.358 -6.079 -1.039 1.00 0.00 O ATOM 117 CB PRO A 11 -10.113 -7.373 1.319 1.00 0.00 C ATOM 118 CG PRO A 11 -9.231 -8.611 1.328 1.00 0.00 C ATOM 119 CD PRO A 11 -9.256 -9.210 -0.069 1.00 0.00 C ATOM 0 HA PRO A 11 -11.393 -6.724 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.623 -6.541 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.050 -7.557 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.212 -8.352 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.594 -9.333 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.249 -9.312 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.701 -10.205 -0.065 1.00 0.00 H new ATOM 127 N SER A 12 -10.110 -4.705 -0.642 1.00 0.00 N ATOM 128 CA SER A 12 -9.420 -3.511 -1.099 1.00 0.00 C ATOM 129 C SER A 12 -8.210 -3.232 -0.205 1.00 0.00 C ATOM 130 O SER A 12 -8.254 -3.477 0.999 1.00 0.00 O ATOM 131 CB SER A 12 -10.359 -2.303 -1.113 1.00 0.00 C ATOM 132 OG SER A 12 -11.554 -2.565 -1.844 1.00 0.00 O ATOM 0 H SER A 12 -11.066 -4.549 -0.322 1.00 0.00 H new ATOM 0 HA SER A 12 -9.078 -3.683 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.613 -2.029 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.845 -1.449 -1.553 1.00 0.00 H new ATOM 0 HG SER A 12 -12.128 -1.771 -1.828 1.00 0.00 H new ATOM 138 N LEU A 13 -7.159 -2.722 -0.829 1.00 0.00 N ATOM 139 CA LEU A 13 -5.939 -2.407 -0.105 1.00 0.00 C ATOM 140 C LEU A 13 -5.991 -0.951 0.364 1.00 0.00 C ATOM 141 O LEU A 13 -5.920 -0.030 -0.448 1.00 0.00 O ATOM 142 CB LEU A 13 -4.711 -2.734 -0.957 1.00 0.00 C ATOM 143 CG LEU A 13 -3.402 -2.948 -0.193 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.451 -1.767 -0.394 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.671 -3.222 1.288 1.00 0.00 C ATOM 0 H LEU A 13 -7.127 -2.519 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.855 -3.028 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.923 -3.634 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.563 -1.924 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.909 -3.831 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.529 -1.944 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.223 -1.660 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.923 -0.854 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.725 -3.371 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.196 -2.373 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.284 -4.118 1.387 1.00 0.00 H new ATOM 157 N ARG A 14 -6.115 -0.790 1.674 1.00 0.00 N ATOM 158 CA ARG A 14 -6.178 0.538 2.261 1.00 0.00 C ATOM 159 C ARG A 14 -4.901 0.829 3.052 1.00 0.00 C ATOM 160 O ARG A 14 -4.615 0.161 4.045 1.00 0.00 O ATOM 161 CB ARG A 14 -7.387 0.673 3.189 1.00 0.00 C ATOM 162 CG ARG A 14 -7.421 2.053 3.848 1.00 0.00 C ATOM 163 CD ARG A 14 -8.280 2.035 5.114 1.00 0.00 C ATOM 164 NE ARG A 14 -9.316 3.090 5.037 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.105 3.443 6.061 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.981 2.829 7.245 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.018 4.411 5.900 1.00 0.00 N ATOM 0 H ARG A 14 -6.173 -1.556 2.345 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.277 1.256 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.304 0.514 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.349 -0.100 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.407 2.366 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.818 2.786 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.751 1.059 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.653 2.193 5.991 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.437 3.578 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.286 2.093 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.582 3.098 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.112 4.879 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.619 4.680 6.679 1.00 0.00 H new ATOM 181 N LEU A 15 -4.167 1.827 2.583 1.00 0.00 N ATOM 182 CA LEU A 15 -2.927 2.215 3.234 1.00 0.00 C ATOM 183 C LEU A 15 -3.185 3.429 4.129 1.00 0.00 C ATOM 184 O LEU A 15 -3.420 4.530 3.635 1.00 0.00 O ATOM 185 CB LEU A 15 -1.825 2.439 2.197 1.00 0.00 C ATOM 186 CG LEU A 15 -1.366 1.198 1.427 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.499 1.587 0.229 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.655 0.210 2.354 1.00 0.00 C ATOM 0 H LEU A 15 -4.407 2.379 1.760 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.568 1.413 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.175 3.179 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.960 2.869 2.702 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.248 0.692 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.186 0.687 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.073 2.224 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.381 2.128 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.339 -0.663 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.218 0.690 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.337 -0.102 3.145 1.00 0.00 H new ATOM 200 N VAL A 16 -3.131 3.186 5.431 1.00 0.00 N ATOM 201 CA VAL A 16 -3.355 4.245 6.400 1.00 0.00 C ATOM 202 C VAL A 16 -2.009 4.730 6.939 1.00 0.00 C ATOM 203 O VAL A 16 -1.205 3.933 7.421 1.00 0.00 O ATOM 204 CB VAL A 16 -4.300 3.756 7.500 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.544 4.852 8.539 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.619 3.257 6.909 1.00 0.00 C ATOM 0 H VAL A 16 -2.935 2.271 5.837 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.842 5.098 5.928 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.821 2.916 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.219 4.479 9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.596 5.139 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.991 5.720 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.272 2.915 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.105 4.068 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.422 2.431 6.226 1.00 0.00 H new ATOM 216 N PHE A 17 -1.803 6.036 6.842 1.00 0.00 N ATOM 217 CA PHE A 17 -0.568 6.637 7.314 1.00 0.00 C ATOM 218 C PHE A 17 -0.643 6.940 8.812 1.00 0.00 C ATOM 219 O PHE A 17 -1.027 8.040 9.208 1.00 0.00 O ATOM 220 CB PHE A 17 -0.387 7.949 6.548 1.00 0.00 C ATOM 221 CG PHE A 17 0.317 7.790 5.199 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.664 7.607 5.152 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.404 7.833 4.047 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.317 7.460 3.900 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.249 7.686 2.795 1.00 0.00 C ATOM 226 CZ PHE A 17 1.596 7.503 2.748 1.00 0.00 C ATOM 0 H PHE A 17 -2.472 6.695 6.443 1.00 0.00 H new ATOM 0 HA PHE A 17 0.265 5.953 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.366 8.400 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.185 8.642 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.237 7.574 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.473 7.979 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.386 7.314 3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.324 7.719 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.093 7.392 1.796 1.00 0.00 H new ATOM 236 N VAL A 18 -0.271 5.945 9.604 1.00 0.00 N ATOM 237 CA VAL A 18 -0.292 6.092 11.049 1.00 0.00 C ATOM 238 C VAL A 18 0.889 6.962 11.486 1.00 0.00 C ATOM 239 O VAL A 18 0.797 7.687 12.476 1.00 0.00 O ATOM 240 CB VAL A 18 -0.297 4.714 11.715 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.672 4.053 11.596 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.795 3.817 11.129 1.00 0.00 C ATOM 0 H VAL A 18 0.047 5.034 9.272 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.204 6.597 11.368 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.082 4.853 12.775 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.649 3.075 12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.420 4.679 12.083 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.928 3.933 10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.769 2.844 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.626 3.689 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.770 4.278 11.289 1.00 0.00 H new ATOM 252 N LYS A 19 1.970 6.861 10.727 1.00 0.00 N ATOM 253 CA LYS A 19 3.166 7.630 11.023 1.00 0.00 C ATOM 254 C LYS A 19 3.698 8.257 9.733 1.00 0.00 C ATOM 255 O LYS A 19 3.059 8.166 8.686 1.00 0.00 O ATOM 256 CB LYS A 19 4.194 6.763 11.754 1.00 0.00 C ATOM 257 CG LYS A 19 3.641 6.267 13.092 1.00 0.00 C ATOM 258 CD LYS A 19 4.675 6.432 14.207 1.00 0.00 C ATOM 259 CE LYS A 19 4.047 6.180 15.579 1.00 0.00 C ATOM 260 NZ LYS A 19 4.970 6.599 16.657 1.00 0.00 N ATOM 0 H LYS A 19 2.042 6.258 9.907 1.00 0.00 H new ATOM 0 HA LYS A 19 2.932 8.449 11.703 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.466 5.911 11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.105 7.337 11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.737 6.822 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.358 5.218 13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.500 5.738 14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.093 7.438 14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.109 6.728 15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.808 5.122 15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.528 6.421 17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.855 6.057 16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.177 7.614 16.562 1.00 0.00 H new ATOM 274 N GLY A 20 4.861 8.879 9.850 1.00 0.00 N ATOM 275 CA GLY A 20 5.486 9.521 8.705 1.00 0.00 C ATOM 276 C GLY A 20 4.995 10.961 8.549 1.00 0.00 C ATOM 277 O GLY A 20 4.307 11.485 9.424 1.00 0.00 O ATOM 0 H GLY A 20 5.388 8.953 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.569 9.513 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.262 8.956 7.800 1.00 0.00 H new ATOM 281 N PRO A 21 5.377 11.577 7.398 1.00 0.00 N ATOM 282 CA PRO A 21 4.983 12.947 7.116 1.00 0.00 C ATOM 283 C PRO A 21 3.511 13.021 6.707 1.00 0.00 C ATOM 284 O PRO A 21 2.886 14.075 6.812 1.00 0.00 O ATOM 285 CB PRO A 21 5.928 13.410 6.019 1.00 0.00 C ATOM 286 CG PRO A 21 6.506 12.145 5.405 1.00 0.00 C ATOM 287 CD PRO A 21 6.191 10.988 6.339 1.00 0.00 C ATOM 0 HA PRO A 21 5.059 13.595 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.399 14.000 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.717 14.043 6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.076 11.968 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.583 12.244 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.652 10.196 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.102 10.544 6.740 1.00 0.00 H new ATOM 295 N ARG A 22 2.999 11.888 6.250 1.00 0.00 N ATOM 296 CA ARG A 22 1.611 11.811 5.825 1.00 0.00 C ATOM 297 C ARG A 22 0.733 11.301 6.969 1.00 0.00 C ATOM 298 O ARG A 22 -0.463 11.080 6.788 1.00 0.00 O ATOM 299 CB ARG A 22 1.456 10.882 4.619 1.00 0.00 C ATOM 300 CG ARG A 22 1.550 11.665 3.308 1.00 0.00 C ATOM 301 CD ARG A 22 2.317 10.871 2.249 1.00 0.00 C ATOM 302 NE ARG A 22 1.554 10.848 0.982 1.00 0.00 N ATOM 303 CZ ARG A 22 1.369 11.918 0.197 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.890 13.102 0.544 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.661 11.804 -0.936 1.00 0.00 N ATOM 0 H ARG A 22 3.520 11.015 6.165 1.00 0.00 H new ATOM 0 HA ARG A 22 1.295 12.814 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.230 10.115 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.496 10.369 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.548 11.892 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.048 12.618 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.297 11.320 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.488 9.853 2.599 1.00 0.00 H new ATOM 0 HE ARG A 22 1.143 9.962 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.428 13.189 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.749 13.916 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.263 10.903 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.520 12.619 -1.534 1.00 0.00 H new ATOM 319 N GLU A 23 1.361 11.130 8.124 1.00 0.00 N ATOM 320 CA GLU A 23 0.651 10.651 9.298 1.00 0.00 C ATOM 321 C GLU A 23 -0.723 11.317 9.396 1.00 0.00 C ATOM 322 O GLU A 23 -0.817 12.528 9.588 1.00 0.00 O ATOM 323 CB GLU A 23 1.469 10.891 10.568 1.00 0.00 C ATOM 324 CG GLU A 23 0.678 10.486 11.814 1.00 0.00 C ATOM 325 CD GLU A 23 0.243 11.717 12.612 1.00 0.00 C ATOM 326 OE1 GLU A 23 1.143 12.503 12.978 1.00 0.00 O ATOM 327 OE2 GLU A 23 -0.980 11.844 12.837 1.00 0.00 O ATOM 0 H GLU A 23 2.353 11.315 8.271 1.00 0.00 H new ATOM 0 HA GLU A 23 0.505 9.576 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.397 10.321 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.745 11.944 10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.199 9.910 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.289 9.838 12.442 1.00 0.00 H new ATOM 334 N GLY A 24 -1.754 10.496 9.259 1.00 0.00 N ATOM 335 CA GLY A 24 -3.118 10.990 9.330 1.00 0.00 C ATOM 336 C GLY A 24 -3.825 10.845 7.981 1.00 0.00 C ATOM 337 O GLY A 24 -4.988 11.220 7.842 1.00 0.00 O ATOM 0 H GLY A 24 -1.672 9.492 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.668 10.440 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.114 12.037 9.632 1.00 0.00 H new ATOM 341 N ASP A 25 -3.092 10.301 7.021 1.00 0.00 N ATOM 342 CA ASP A 25 -3.634 10.102 5.687 1.00 0.00 C ATOM 343 C ASP A 25 -3.982 8.624 5.499 1.00 0.00 C ATOM 344 O ASP A 25 -3.489 7.768 6.231 1.00 0.00 O ATOM 345 CB ASP A 25 -2.613 10.488 4.615 1.00 0.00 C ATOM 346 CG ASP A 25 -2.446 11.992 4.392 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.484 12.688 4.417 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.284 12.412 4.203 1.00 0.00 O ATOM 0 H ASP A 25 -2.127 9.992 7.140 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.519 10.730 5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.645 10.067 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.907 10.027 3.672 1.00 0.00 H new ATOM 353 N ALA A 26 -4.830 8.371 4.512 1.00 0.00 N ATOM 354 CA ALA A 26 -5.250 7.011 4.218 1.00 0.00 C ATOM 355 C ALA A 26 -5.689 6.923 2.754 1.00 0.00 C ATOM 356 O ALA A 26 -6.378 7.811 2.255 1.00 0.00 O ATOM 357 CB ALA A 26 -6.361 6.599 5.185 1.00 0.00 C ATOM 0 H ALA A 26 -5.237 9.084 3.907 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.423 6.315 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.676 5.579 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.990 6.651 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.210 7.273 5.072 1.00 0.00 H new ATOM 363 N LEU A 27 -5.271 5.844 2.109 1.00 0.00 N ATOM 364 CA LEU A 27 -5.612 5.629 0.713 1.00 0.00 C ATOM 365 C LEU A 27 -6.277 4.260 0.560 1.00 0.00 C ATOM 366 O LEU A 27 -6.251 3.446 1.483 1.00 0.00 O ATOM 367 CB LEU A 27 -4.380 5.816 -0.175 1.00 0.00 C ATOM 368 CG LEU A 27 -3.613 7.128 0.009 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.104 6.881 0.043 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.004 8.146 -1.065 1.00 0.00 C ATOM 0 H LEU A 27 -4.700 5.110 2.527 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.334 6.374 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.695 4.989 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.693 5.744 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.890 7.554 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.583 7.829 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.863 6.216 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.789 6.421 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.445 9.069 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.774 7.742 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.072 8.353 -0.998 1.00 0.00 H new ATOM 382 N ASP A 28 -6.859 4.047 -0.611 1.00 0.00 N ATOM 383 CA ASP A 28 -7.530 2.790 -0.896 1.00 0.00 C ATOM 384 C ASP A 28 -7.416 2.484 -2.391 1.00 0.00 C ATOM 385 O ASP A 28 -7.397 3.396 -3.215 1.00 0.00 O ATOM 386 CB ASP A 28 -9.016 2.867 -0.541 1.00 0.00 C ATOM 387 CG ASP A 28 -9.860 1.689 -1.033 1.00 0.00 C ATOM 388 OD1 ASP A 28 -10.115 1.645 -2.256 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.231 0.860 -0.175 1.00 0.00 O ATOM 0 H ASP A 28 -6.880 4.724 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.056 2.011 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.112 2.936 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.426 3.787 -0.957 1.00 0.00 H new ATOM 394 N TYR A 29 -7.344 1.196 -2.694 1.00 0.00 N ATOM 395 CA TYR A 29 -7.233 0.758 -4.075 1.00 0.00 C ATOM 396 C TYR A 29 -8.030 -0.527 -4.309 1.00 0.00 C ATOM 397 O TYR A 29 -8.577 -1.101 -3.369 1.00 0.00 O ATOM 398 CB TYR A 29 -5.748 0.473 -4.309 1.00 0.00 C ATOM 399 CG TYR A 29 -4.849 1.704 -4.174 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.430 2.119 -2.926 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.458 2.399 -5.300 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.585 3.278 -2.799 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.612 3.557 -5.173 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.217 3.940 -3.929 1.00 0.00 C ATOM 405 OH TYR A 29 -2.418 5.034 -3.809 1.00 0.00 O ATOM 0 H TYR A 29 -7.360 0.442 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.625 1.518 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.418 -0.285 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.622 0.052 -5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.736 1.574 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.786 2.074 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.251 3.614 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.298 4.109 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.235 5.405 -4.698 1.00 0.00 H new ATOM 415 N LYS A 30 -8.068 -0.941 -5.567 1.00 0.00 N ATOM 416 CA LYS A 30 -8.789 -2.148 -5.935 1.00 0.00 C ATOM 417 C LYS A 30 -7.811 -3.323 -5.991 1.00 0.00 C ATOM 418 O LYS A 30 -6.598 -3.125 -6.028 1.00 0.00 O ATOM 419 CB LYS A 30 -9.565 -1.932 -7.236 1.00 0.00 C ATOM 420 CG LYS A 30 -8.700 -2.265 -8.453 1.00 0.00 C ATOM 421 CD LYS A 30 -9.383 -1.824 -9.749 1.00 0.00 C ATOM 422 CE LYS A 30 -8.528 -0.802 -10.499 1.00 0.00 C ATOM 423 NZ LYS A 30 -8.791 -0.873 -11.954 1.00 0.00 N ATOM 0 H LYS A 30 -7.612 -0.463 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.537 -2.390 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.458 -2.557 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.900 -0.896 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.732 -1.772 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.509 -3.338 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.560 -2.692 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.357 -1.391 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.746 0.201 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.472 -0.990 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.202 -0.172 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.561 -1.826 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.795 -0.671 -12.136 1.00 0.00 H new ATOM 437 N PRO A 31 -8.391 -4.554 -5.995 1.00 0.00 N ATOM 438 CA PRO A 31 -7.585 -5.761 -6.045 1.00 0.00 C ATOM 439 C PRO A 31 -7.019 -5.985 -7.449 1.00 0.00 C ATOM 440 O PRO A 31 -7.766 -6.010 -8.426 1.00 0.00 O ATOM 441 CB PRO A 31 -8.516 -6.875 -5.595 1.00 0.00 C ATOM 442 CG PRO A 31 -9.926 -6.330 -5.756 1.00 0.00 C ATOM 443 CD PRO A 31 -9.825 -4.826 -5.952 1.00 0.00 C ATOM 0 HA PRO A 31 -6.708 -5.708 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.373 -7.771 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.321 -7.153 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.419 -6.794 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.527 -6.561 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.315 -4.513 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.306 -4.287 -5.136 1.00 0.00 H new ATOM 451 N GLY A 32 -5.705 -6.142 -7.505 1.00 0.00 N ATOM 452 CA GLY A 32 -5.031 -6.363 -8.773 1.00 0.00 C ATOM 453 C GLY A 32 -4.368 -5.078 -9.273 1.00 0.00 C ATOM 454 O GLY A 32 -3.898 -5.018 -10.408 1.00 0.00 O ATOM 0 H GLY A 32 -5.089 -6.121 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.279 -7.143 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.748 -6.718 -9.513 1.00 0.00 H new ATOM 458 N SER A 33 -4.351 -4.081 -8.401 1.00 0.00 N ATOM 459 CA SER A 33 -3.753 -2.801 -8.739 1.00 0.00 C ATOM 460 C SER A 33 -2.437 -2.620 -7.978 1.00 0.00 C ATOM 461 O SER A 33 -2.424 -2.609 -6.748 1.00 0.00 O ATOM 462 CB SER A 33 -4.708 -1.647 -8.427 1.00 0.00 C ATOM 463 OG SER A 33 -5.380 -1.181 -9.594 1.00 0.00 O ATOM 0 H SER A 33 -4.742 -4.134 -7.460 1.00 0.00 H new ATOM 0 HA SER A 33 -3.551 -2.791 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.443 -1.973 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.150 -0.826 -7.978 1.00 0.00 H new ATOM 0 HG SER A 33 -5.581 -0.227 -9.497 1.00 0.00 H new ATOM 469 N THR A 34 -1.363 -2.483 -8.742 1.00 0.00 N ATOM 470 CA THR A 34 -0.046 -2.304 -8.156 1.00 0.00 C ATOM 471 C THR A 34 0.095 -0.892 -7.584 1.00 0.00 C ATOM 472 O THR A 34 -0.193 0.090 -8.267 1.00 0.00 O ATOM 473 CB THR A 34 0.997 -2.633 -9.226 1.00 0.00 C ATOM 474 OG1 THR A 34 0.765 -4.007 -9.525 1.00 0.00 O ATOM 475 CG2 THR A 34 2.425 -2.607 -8.679 1.00 0.00 C ATOM 0 H THR A 34 -1.378 -2.492 -9.762 1.00 0.00 H new ATOM 0 HA THR A 34 0.107 -2.979 -7.314 1.00 0.00 H new ATOM 0 HB THR A 34 0.910 -1.923 -10.048 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.397 -4.304 -10.212 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.125 -2.847 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.647 -1.614 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.522 -3.341 -7.879 1.00 0.00 H new ATOM 483 N ILE A 35 0.539 -0.835 -6.337 1.00 0.00 N ATOM 484 CA ILE A 35 0.722 0.441 -5.665 1.00 0.00 C ATOM 485 C ILE A 35 2.213 0.666 -5.405 1.00 0.00 C ATOM 486 O ILE A 35 2.750 0.195 -4.404 1.00 0.00 O ATOM 487 CB ILE A 35 -0.140 0.510 -4.403 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.621 0.327 -4.739 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.117 1.808 -3.634 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.176 -0.944 -4.094 1.00 0.00 C ATOM 0 H ILE A 35 0.777 -1.652 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 35 0.382 1.259 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 35 0.146 -0.314 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.186 1.192 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.749 0.276 -5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.508 1.832 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.166 1.857 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.124 2.661 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.231 -1.051 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.625 -1.809 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.069 -0.879 -3.011 1.00 0.00 H new ATOM 502 N ARG A 36 2.839 1.387 -6.324 1.00 0.00 N ATOM 503 CA ARG A 36 4.257 1.680 -6.207 1.00 0.00 C ATOM 504 C ARG A 36 4.483 2.817 -5.209 1.00 0.00 C ATOM 505 O ARG A 36 4.157 3.969 -5.491 1.00 0.00 O ATOM 506 CB ARG A 36 4.852 2.073 -7.561 1.00 0.00 C ATOM 507 CG ARG A 36 4.722 0.930 -8.570 1.00 0.00 C ATOM 508 CD ARG A 36 6.096 0.484 -9.074 1.00 0.00 C ATOM 509 NE ARG A 36 6.625 1.472 -10.041 1.00 0.00 N ATOM 510 CZ ARG A 36 7.777 1.327 -10.708 1.00 0.00 C ATOM 511 NH1 ARG A 36 8.528 0.233 -10.518 1.00 0.00 N ATOM 512 NH2 ARG A 36 8.179 2.275 -11.566 1.00 0.00 N ATOM 0 H ARG A 36 2.390 1.777 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 36 4.754 0.777 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.344 2.959 -7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.903 2.336 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.210 0.087 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.109 1.251 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.784 0.379 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.019 -0.495 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 36 6.078 2.316 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.222 -0.489 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.406 0.122 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.607 3.107 -11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.057 2.164 -12.074 1.00 0.00 H new ATOM 526 N VAL A 37 5.040 2.454 -4.063 1.00 0.00 N ATOM 527 CA VAL A 37 5.313 3.430 -3.021 1.00 0.00 C ATOM 528 C VAL A 37 6.766 3.897 -3.135 1.00 0.00 C ATOM 529 O VAL A 37 7.691 3.096 -3.012 1.00 0.00 O ATOM 530 CB VAL A 37 4.981 2.838 -1.650 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.089 3.901 -0.554 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.594 2.193 -1.653 1.00 0.00 C ATOM 0 H VAL A 37 5.310 1.498 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 37 4.678 4.308 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 37 5.712 2.059 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.848 3.455 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.105 4.295 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.391 4.712 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.383 1.780 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.844 2.944 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.566 1.395 -2.394 1.00 0.00 H new ATOM 542 N GLY A 38 6.921 5.192 -3.368 1.00 0.00 N ATOM 543 CA GLY A 38 8.245 5.775 -3.500 1.00 0.00 C ATOM 544 C GLY A 38 8.318 7.132 -2.797 1.00 0.00 C ATOM 545 O GLY A 38 7.556 7.397 -1.868 1.00 0.00 O ATOM 0 H GLY A 38 6.151 5.854 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.988 5.100 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.490 5.894 -4.555 1.00 0.00 H new ATOM 549 N ARG A 39 9.243 7.957 -3.266 1.00 0.00 N ATOM 550 CA ARG A 39 9.427 9.280 -2.694 1.00 0.00 C ATOM 551 C ARG A 39 8.806 10.342 -3.604 1.00 0.00 C ATOM 552 O ARG A 39 8.319 11.365 -3.126 1.00 0.00 O ATOM 553 CB ARG A 39 10.911 9.593 -2.494 1.00 0.00 C ATOM 554 CG ARG A 39 11.117 11.065 -2.132 1.00 0.00 C ATOM 555 CD ARG A 39 12.537 11.310 -1.617 1.00 0.00 C ATOM 556 NE ARG A 39 13.220 12.306 -2.472 1.00 0.00 N ATOM 557 CZ ARG A 39 14.523 12.607 -2.380 1.00 0.00 C ATOM 558 NH1 ARG A 39 15.290 11.992 -1.471 1.00 0.00 N ATOM 559 NH2 ARG A 39 15.057 13.525 -3.198 1.00 0.00 N ATOM 0 H ARG A 39 9.873 7.734 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 39 8.932 9.293 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.316 8.960 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.462 9.358 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.931 11.688 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.394 11.361 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.503 11.665 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.098 10.375 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 39 12.665 12.794 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.883 11.294 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.281 12.221 -1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.472 13.994 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.048 13.755 -3.129 1.00 0.00 H new ATOM 573 N ILE A 40 8.845 10.062 -4.898 1.00 0.00 N ATOM 574 CA ILE A 40 8.292 10.981 -5.879 1.00 0.00 C ATOM 575 C ILE A 40 6.934 10.459 -6.352 1.00 0.00 C ATOM 576 O ILE A 40 6.742 9.252 -6.488 1.00 0.00 O ATOM 577 CB ILE A 40 9.290 11.215 -7.015 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.691 9.894 -7.674 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.506 12.003 -6.523 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.385 10.139 -9.015 1.00 0.00 C ATOM 0 H ILE A 40 9.251 9.212 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 40 8.119 11.959 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 40 8.802 11.820 -7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.357 9.340 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.806 9.276 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.200 12.156 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.182 12.970 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.004 11.446 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.660 9.184 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.708 10.671 -9.683 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.283 10.737 -8.856 1.00 0.00 H new ATOM 592 N VAL A 41 6.026 11.395 -6.589 1.00 0.00 N ATOM 593 CA VAL A 41 4.692 11.045 -7.044 1.00 0.00 C ATOM 594 C VAL A 41 4.764 10.549 -8.489 1.00 0.00 C ATOM 595 O VAL A 41 4.015 9.655 -8.880 1.00 0.00 O ATOM 596 CB VAL A 41 3.749 12.237 -6.867 1.00 0.00 C ATOM 597 CG1 VAL A 41 3.347 12.405 -5.401 1.00 0.00 C ATOM 598 CG2 VAL A 41 4.379 13.520 -7.413 1.00 0.00 C ATOM 0 H VAL A 41 6.189 12.395 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 41 4.284 10.233 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 41 2.845 12.037 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.677 13.259 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.839 11.504 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.238 12.572 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.688 14.352 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.306 13.726 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.592 13.398 -8.475 1.00 0.00 H new ATOM 608 N ARG A 42 5.671 11.152 -9.244 1.00 0.00 N ATOM 609 CA ARG A 42 5.850 10.782 -10.637 1.00 0.00 C ATOM 610 C ARG A 42 6.491 9.397 -10.741 1.00 0.00 C ATOM 611 O ARG A 42 7.647 9.214 -10.362 1.00 0.00 O ATOM 612 CB ARG A 42 6.730 11.799 -11.368 1.00 0.00 C ATOM 613 CG ARG A 42 5.890 12.954 -11.920 1.00 0.00 C ATOM 614 CD ARG A 42 6.668 13.742 -12.975 1.00 0.00 C ATOM 615 NE ARG A 42 6.147 15.124 -13.061 1.00 0.00 N ATOM 616 CZ ARG A 42 4.971 15.450 -13.615 1.00 0.00 C ATOM 617 NH1 ARG A 42 4.188 14.495 -14.135 1.00 0.00 N ATOM 618 NH2 ARG A 42 4.578 16.731 -13.649 1.00 0.00 N ATOM 0 H ARG A 42 6.290 11.894 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 42 4.866 10.766 -11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.486 12.188 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.260 11.307 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.971 12.564 -12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.599 13.618 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.728 13.759 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.582 13.251 -13.944 1.00 0.00 H new ATOM 0 HE ARG A 42 6.718 15.875 -12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.487 13.520 -14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.293 14.743 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.174 17.458 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.683 16.979 -14.071 1.00 0.00 H new ATOM 632 N GLY A 43 5.713 8.457 -11.257 1.00 0.00 N ATOM 633 CA GLY A 43 6.190 7.094 -11.415 1.00 0.00 C ATOM 634 C GLY A 43 5.581 6.173 -10.356 1.00 0.00 C ATOM 635 O GLY A 43 4.953 5.169 -10.688 1.00 0.00 O ATOM 0 H GLY A 43 4.755 8.613 -11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.935 6.729 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.277 7.074 -11.337 1.00 0.00 H new ATOM 639 N ASN A 44 5.789 6.548 -9.102 1.00 0.00 N ATOM 640 CA ASN A 44 5.268 5.768 -7.992 1.00 0.00 C ATOM 641 C ASN A 44 3.874 6.280 -7.625 1.00 0.00 C ATOM 642 O ASN A 44 3.609 7.479 -7.701 1.00 0.00 O ATOM 643 CB ASN A 44 6.162 5.903 -6.758 1.00 0.00 C ATOM 644 CG ASN A 44 7.640 5.935 -7.151 1.00 0.00 C ATOM 645 OD1 ASN A 44 8.271 4.915 -7.375 1.00 0.00 O ATOM 646 ND2 ASN A 44 8.154 7.159 -7.223 1.00 0.00 N ATOM 0 H ASN A 44 6.311 7.381 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 44 5.234 4.723 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.906 6.814 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.980 5.069 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.133 7.287 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.569 7.970 -7.023 1.00 0.00 H new ATOM 653 N GLU A 45 3.019 5.346 -7.235 1.00 0.00 N ATOM 654 CA GLU A 45 1.659 5.687 -6.855 1.00 0.00 C ATOM 655 C GLU A 45 1.664 6.622 -5.644 1.00 0.00 C ATOM 656 O GLU A 45 1.230 7.769 -5.739 1.00 0.00 O ATOM 657 CB GLU A 45 0.836 4.429 -6.573 1.00 0.00 C ATOM 658 CG GLU A 45 0.245 3.859 -7.864 1.00 0.00 C ATOM 659 CD GLU A 45 1.238 3.980 -9.022 1.00 0.00 C ATOM 660 OE1 GLU A 45 1.221 5.046 -9.674 1.00 0.00 O ATOM 661 OE2 GLU A 45 1.991 3.004 -9.228 1.00 0.00 O ATOM 0 H GLU A 45 3.242 4.353 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 45 1.190 6.208 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.465 3.678 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.033 4.664 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.020 2.812 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.675 4.389 -8.112 1.00 0.00 H new ATOM 668 N ILE A 46 2.161 6.097 -4.534 1.00 0.00 N ATOM 669 CA ILE A 46 2.229 6.871 -3.305 1.00 0.00 C ATOM 670 C ILE A 46 3.648 7.413 -3.127 1.00 0.00 C ATOM 671 O ILE A 46 4.622 6.712 -3.395 1.00 0.00 O ATOM 672 CB ILE A 46 1.734 6.038 -2.120 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.320 5.511 -2.372 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.826 6.833 -0.816 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.043 4.414 -1.369 1.00 0.00 C ATOM 0 H ILE A 46 2.521 5.145 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 46 1.564 7.733 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 46 2.386 5.171 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.396 6.329 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.250 5.119 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.468 6.219 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.863 7.117 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.212 7.731 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.053 4.057 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.660 3.587 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.005 4.816 -0.357 1.00 0.00 H new ATOM 687 N ALA A 47 3.720 8.656 -2.675 1.00 0.00 N ATOM 688 CA ALA A 47 5.004 9.300 -2.457 1.00 0.00 C ATOM 689 C ALA A 47 5.047 9.876 -1.040 1.00 0.00 C ATOM 690 O ALA A 47 4.084 10.493 -0.587 1.00 0.00 O ATOM 691 CB ALA A 47 5.227 10.370 -3.528 1.00 0.00 C ATOM 0 H ALA A 47 2.910 9.235 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 47 5.815 8.577 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.190 10.853 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.217 9.906 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.433 11.115 -3.469 1.00 0.00 H new ATOM 697 N ILE A 48 6.174 9.654 -0.379 1.00 0.00 N ATOM 698 CA ILE A 48 6.355 10.144 0.977 1.00 0.00 C ATOM 699 C ILE A 48 7.628 10.990 1.043 1.00 0.00 C ATOM 700 O ILE A 48 8.726 10.484 0.816 1.00 0.00 O ATOM 701 CB ILE A 48 6.336 8.982 1.972 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.967 8.298 1.990 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.762 9.447 3.366 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.113 6.785 2.161 1.00 0.00 C ATOM 0 H ILE A 48 6.971 9.141 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 48 5.526 10.792 1.263 1.00 0.00 H new ATOM 0 HB ILE A 48 7.063 8.239 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.365 8.703 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.437 8.513 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.740 8.602 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.773 9.852 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.077 10.219 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.126 6.323 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.695 6.380 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.622 6.573 3.101 1.00 0.00 H new ATOM 716 N LYS A 49 7.439 12.263 1.356 1.00 0.00 N ATOM 717 CA LYS A 49 8.558 13.184 1.455 1.00 0.00 C ATOM 718 C LYS A 49 9.156 13.104 2.861 1.00 0.00 C ATOM 719 O LYS A 49 8.999 14.026 3.660 1.00 0.00 O ATOM 720 CB LYS A 49 8.129 14.595 1.049 1.00 0.00 C ATOM 721 CG LYS A 49 8.033 14.723 -0.473 1.00 0.00 C ATOM 722 CD LYS A 49 9.387 15.098 -1.078 1.00 0.00 C ATOM 723 CE LYS A 49 9.506 14.587 -2.515 1.00 0.00 C ATOM 724 NZ LYS A 49 10.736 15.111 -3.151 1.00 0.00 N ATOM 0 H LYS A 49 6.527 12.679 1.545 1.00 0.00 H new ATOM 0 HA LYS A 49 9.346 12.902 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.164 14.829 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.845 15.321 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.688 13.781 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.293 15.480 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.509 16.181 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.189 14.678 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.523 13.497 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.633 14.895 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.802 14.755 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.704 16.150 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.567 14.796 -2.611 1.00 0.00 H new ATOM 738 N ASP A 50 9.829 11.992 3.121 1.00 0.00 N ATOM 739 CA ASP A 50 10.451 11.780 4.416 1.00 0.00 C ATOM 740 C ASP A 50 11.957 11.586 4.229 1.00 0.00 C ATOM 741 O ASP A 50 12.693 11.431 5.202 1.00 0.00 O ATOM 742 CB ASP A 50 9.894 10.527 5.096 1.00 0.00 C ATOM 743 CG ASP A 50 10.743 9.984 6.247 1.00 0.00 C ATOM 744 OD1 ASP A 50 11.248 10.823 7.024 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.868 8.743 6.324 1.00 0.00 O ATOM 0 H ASP A 50 9.957 11.229 2.456 1.00 0.00 H new ATOM 0 HA ASP A 50 10.242 12.651 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.896 10.750 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.783 9.744 4.346 1.00 0.00 H new ATOM 750 N ALA A 51 12.371 11.601 2.970 1.00 0.00 N ATOM 751 CA ALA A 51 13.776 11.429 2.642 1.00 0.00 C ATOM 752 C ALA A 51 14.142 9.947 2.745 1.00 0.00 C ATOM 753 O ALA A 51 14.638 9.359 1.785 1.00 0.00 O ATOM 754 CB ALA A 51 14.627 12.304 3.565 1.00 0.00 C ATOM 0 H ALA A 51 11.758 11.730 2.165 1.00 0.00 H new ATOM 0 HA ALA A 51 13.972 11.747 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.681 12.175 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.349 13.350 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.458 12.012 4.601 1.00 0.00 H new ATOM 760 N GLY A 52 13.882 9.386 3.916 1.00 0.00 N ATOM 761 CA GLY A 52 14.177 7.983 4.156 1.00 0.00 C ATOM 762 C GLY A 52 13.691 7.114 2.995 1.00 0.00 C ATOM 763 O GLY A 52 14.202 6.016 2.780 1.00 0.00 O ATOM 0 H GLY A 52 13.470 9.877 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.251 7.851 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.699 7.660 5.081 1.00 0.00 H new ATOM 767 N ILE A 53 12.708 7.638 2.276 1.00 0.00 N ATOM 768 CA ILE A 53 12.147 6.924 1.142 1.00 0.00 C ATOM 769 C ILE A 53 12.806 7.423 -0.146 1.00 0.00 C ATOM 770 O ILE A 53 13.046 8.619 -0.302 1.00 0.00 O ATOM 771 CB ILE A 53 10.622 7.040 1.137 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.026 6.486 2.433 1.00 0.00 C ATOM 773 CG2 ILE A 53 10.025 6.368 -0.101 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.912 7.396 2.957 1.00 0.00 C ATOM 0 H ILE A 53 12.286 8.549 2.457 1.00 0.00 H new ATOM 0 HA ILE A 53 12.362 5.858 1.219 1.00 0.00 H new ATOM 0 HB ILE A 53 10.360 8.097 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.631 5.485 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.808 6.392 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.940 6.465 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.415 6.848 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.295 5.312 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.505 6.980 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.316 8.389 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.120 7.468 2.211 1.00 0.00 H new ATOM 786 N SER A 54 13.080 6.480 -1.036 1.00 0.00 N ATOM 787 CA SER A 54 13.706 6.809 -2.305 1.00 0.00 C ATOM 788 C SER A 54 12.675 6.731 -3.433 1.00 0.00 C ATOM 789 O SER A 54 11.624 6.112 -3.276 1.00 0.00 O ATOM 790 CB SER A 54 14.883 5.876 -2.597 1.00 0.00 C ATOM 791 OG SER A 54 15.954 6.555 -3.246 1.00 0.00 O ATOM 0 H SER A 54 12.880 5.489 -0.903 1.00 0.00 H new ATOM 0 HA SER A 54 14.091 7.827 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.242 5.442 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.545 5.051 -3.223 1.00 0.00 H new ATOM 0 HG SER A 54 16.686 5.926 -3.414 1.00 0.00 H new ATOM 797 N THR A 55 13.012 7.369 -4.545 1.00 0.00 N ATOM 798 CA THR A 55 12.129 7.380 -5.698 1.00 0.00 C ATOM 799 C THR A 55 11.523 5.992 -5.919 1.00 0.00 C ATOM 800 O THR A 55 10.304 5.848 -5.992 1.00 0.00 O ATOM 801 CB THR A 55 12.926 7.893 -6.899 1.00 0.00 C ATOM 802 OG1 THR A 55 14.206 7.286 -6.751 1.00 0.00 O ATOM 803 CG2 THR A 55 13.213 9.394 -6.813 1.00 0.00 C ATOM 0 H THR A 55 13.885 7.882 -4.671 1.00 0.00 H new ATOM 0 HA THR A 55 11.283 8.049 -5.542 1.00 0.00 H new ATOM 0 HB THR A 55 12.377 7.680 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.787 7.564 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.781 9.707 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.272 9.943 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.791 9.603 -5.913 1.00 0.00 H new ATOM 811 N LYS A 56 12.403 5.007 -6.020 1.00 0.00 N ATOM 812 CA LYS A 56 11.970 3.636 -6.231 1.00 0.00 C ATOM 813 C LYS A 56 12.344 2.794 -5.010 1.00 0.00 C ATOM 814 O LYS A 56 13.239 1.954 -5.081 1.00 0.00 O ATOM 815 CB LYS A 56 12.532 3.094 -7.547 1.00 0.00 C ATOM 816 CG LYS A 56 11.801 3.700 -8.747 1.00 0.00 C ATOM 817 CD LYS A 56 12.792 4.162 -9.817 1.00 0.00 C ATOM 818 CE LYS A 56 12.430 5.555 -10.336 1.00 0.00 C ATOM 819 NZ LYS A 56 12.271 5.535 -11.807 1.00 0.00 N ATOM 0 H LYS A 56 13.414 5.131 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 56 10.886 3.590 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.596 3.321 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.435 2.009 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.119 2.963 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.194 4.544 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.800 4.175 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.797 3.452 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.505 5.895 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.208 6.266 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.025 6.488 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.162 5.231 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.513 4.871 -12.065 1.00 0.00 H new ATOM 833 N HIS A 57 11.638 3.048 -3.917 1.00 0.00 N ATOM 834 CA HIS A 57 11.884 2.324 -2.682 1.00 0.00 C ATOM 835 C HIS A 57 11.363 0.892 -2.814 1.00 0.00 C ATOM 836 O HIS A 57 12.138 -0.062 -2.767 1.00 0.00 O ATOM 837 CB HIS A 57 11.282 3.066 -1.488 1.00 0.00 C ATOM 838 CG HIS A 57 11.586 2.430 -0.152 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.029 3.155 0.940 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.504 1.131 0.255 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.204 2.320 1.953 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.879 1.066 1.527 1.00 0.00 N ATOM 0 H HIS A 57 10.896 3.745 -3.862 1.00 0.00 H new ATOM 0 HA HIS A 57 12.957 2.268 -2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.655 4.090 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.201 3.121 -1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.188 0.297 -0.354 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.544 2.586 2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.918 0.218 2.092 1.00 0.00 H new ATOM 850 N LEU A 58 10.052 0.786 -2.977 1.00 0.00 N ATOM 851 CA LEU A 58 9.418 -0.514 -3.117 1.00 0.00 C ATOM 852 C LEU A 58 8.094 -0.353 -3.865 1.00 0.00 C ATOM 853 O LEU A 58 7.656 0.767 -4.126 1.00 0.00 O ATOM 854 CB LEU A 58 9.275 -1.189 -1.751 1.00 0.00 C ATOM 855 CG LEU A 58 8.544 -0.381 -0.677 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.267 0.248 -1.237 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.266 -1.239 0.559 1.00 0.00 C ATOM 0 H LEU A 58 9.412 1.579 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 58 10.042 -1.180 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.749 -2.134 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.271 -1.430 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 58 9.194 0.436 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.767 0.816 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.521 0.914 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.602 -0.537 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.746 -0.641 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.645 -2.090 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.209 -1.598 0.972 1.00 0.00 H new ATOM 869 N ARG A 59 7.492 -1.488 -4.189 1.00 0.00 N ATOM 870 CA ARG A 59 6.226 -1.486 -4.902 1.00 0.00 C ATOM 871 C ARG A 59 5.276 -2.525 -4.301 1.00 0.00 C ATOM 872 O ARG A 59 5.708 -3.600 -3.889 1.00 0.00 O ATOM 873 CB ARG A 59 6.430 -1.792 -6.387 1.00 0.00 C ATOM 874 CG ARG A 59 6.701 -3.281 -6.608 1.00 0.00 C ATOM 875 CD ARG A 59 7.340 -3.525 -7.977 1.00 0.00 C ATOM 876 NE ARG A 59 8.118 -4.784 -7.956 1.00 0.00 N ATOM 877 CZ ARG A 59 8.945 -5.173 -8.935 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.108 -4.403 -10.020 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.611 -6.331 -8.831 1.00 0.00 N ATOM 0 H ARG A 59 7.857 -2.415 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 59 5.792 -0.491 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.545 -1.493 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.265 -1.206 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.359 -3.655 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.768 -3.839 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.567 -3.578 -8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.991 -2.690 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 59 8.018 -5.394 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.602 -3.521 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.738 -4.699 -10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.488 -6.917 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.241 -6.626 -9.577 1.00 0.00 H new ATOM 893 N ILE A 60 4.001 -2.165 -4.269 1.00 0.00 N ATOM 894 CA ILE A 60 2.988 -3.053 -3.724 1.00 0.00 C ATOM 895 C ILE A 60 2.193 -3.678 -4.873 1.00 0.00 C ATOM 896 O ILE A 60 1.792 -2.983 -5.805 1.00 0.00 O ATOM 897 CB ILE A 60 2.118 -2.312 -2.707 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.894 -2.038 -1.418 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.816 -3.071 -2.442 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.052 -1.225 -0.432 1.00 0.00 C ATOM 0 H ILE A 60 3.647 -1.272 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 60 3.454 -3.871 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 60 1.846 -1.345 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.188 -2.982 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.812 -1.497 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.216 -2.522 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.257 -3.171 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.046 -4.061 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.628 -1.044 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.781 -0.272 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.147 -1.779 -0.183 1.00 0.00 H new ATOM 912 N GLU A 61 1.991 -4.983 -4.768 1.00 0.00 N ATOM 913 CA GLU A 61 1.252 -5.710 -5.786 1.00 0.00 C ATOM 914 C GLU A 61 0.363 -6.774 -5.139 1.00 0.00 C ATOM 915 O GLU A 61 0.511 -7.076 -3.956 1.00 0.00 O ATOM 916 CB GLU A 61 2.201 -6.337 -6.809 1.00 0.00 C ATOM 917 CG GLU A 61 3.159 -7.322 -6.137 1.00 0.00 C ATOM 918 CD GLU A 61 2.644 -8.758 -6.258 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.410 -8.928 -6.154 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.496 -9.652 -6.451 1.00 0.00 O ATOM 0 H GLU A 61 2.326 -5.556 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 61 0.613 -5.004 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.624 -6.852 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.771 -5.554 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.145 -7.246 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.275 -7.061 -5.085 1.00 0.00 H new ATOM 927 N SER A 62 -0.542 -7.312 -5.943 1.00 0.00 N ATOM 928 CA SER A 62 -1.455 -8.335 -5.464 1.00 0.00 C ATOM 929 C SER A 62 -1.338 -9.590 -6.331 1.00 0.00 C ATOM 930 O SER A 62 -1.195 -9.495 -7.550 1.00 0.00 O ATOM 931 CB SER A 62 -2.899 -7.827 -5.458 1.00 0.00 C ATOM 932 OG SER A 62 -3.829 -8.859 -5.773 1.00 0.00 O ATOM 0 H SER A 62 -0.662 -7.058 -6.924 1.00 0.00 H new ATOM 0 HA SER A 62 -1.181 -8.583 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.134 -7.414 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.001 -7.015 -6.178 1.00 0.00 H new ATOM 0 HG SER A 62 -3.751 -9.582 -5.116 1.00 0.00 H new ATOM 938 N ASP A 63 -1.402 -10.736 -5.670 1.00 0.00 N ATOM 939 CA ASP A 63 -1.304 -12.008 -6.366 1.00 0.00 C ATOM 940 C ASP A 63 -2.667 -12.703 -6.344 1.00 0.00 C ATOM 941 O ASP A 63 -3.702 -12.044 -6.257 1.00 0.00 O ATOM 942 CB ASP A 63 -0.291 -12.932 -5.686 1.00 0.00 C ATOM 943 CG ASP A 63 0.496 -13.838 -6.634 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.025 -14.935 -6.934 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.600 -13.415 -7.038 1.00 0.00 O ATOM 0 H ASP A 63 -1.521 -10.811 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.981 -11.809 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.414 -12.321 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.818 -13.557 -4.965 1.00 0.00 H new ATOM 950 N SER A 64 -2.623 -14.025 -6.424 1.00 0.00 N ATOM 951 CA SER A 64 -3.842 -14.816 -6.414 1.00 0.00 C ATOM 952 C SER A 64 -4.767 -14.338 -5.292 1.00 0.00 C ATOM 953 O SER A 64 -4.645 -14.781 -4.151 1.00 0.00 O ATOM 954 CB SER A 64 -3.531 -16.304 -6.247 1.00 0.00 C ATOM 955 OG SER A 64 -3.526 -16.992 -7.495 1.00 0.00 O ATOM 0 H SER A 64 -1.763 -14.568 -6.496 1.00 0.00 H new ATOM 0 HA SER A 64 -4.344 -14.682 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.560 -16.420 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.270 -16.757 -5.586 1.00 0.00 H new ATOM 0 HG SER A 64 -3.322 -17.939 -7.346 1.00 0.00 H new ATOM 961 N GLY A 65 -5.671 -13.440 -5.656 1.00 0.00 N ATOM 962 CA GLY A 65 -6.616 -12.898 -4.695 1.00 0.00 C ATOM 963 C GLY A 65 -5.943 -12.652 -3.343 1.00 0.00 C ATOM 964 O GLY A 65 -6.476 -13.033 -2.302 1.00 0.00 O ATOM 0 H GLY A 65 -5.769 -13.074 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.030 -11.964 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.450 -13.589 -4.570 1.00 0.00 H new ATOM 968 N ASN A 66 -4.781 -12.018 -3.403 1.00 0.00 N ATOM 969 CA ASN A 66 -4.030 -11.717 -2.196 1.00 0.00 C ATOM 970 C ASN A 66 -3.108 -10.525 -2.459 1.00 0.00 C ATOM 971 O ASN A 66 -2.876 -10.156 -3.610 1.00 0.00 O ATOM 972 CB ASN A 66 -3.160 -12.904 -1.779 1.00 0.00 C ATOM 973 CG ASN A 66 -3.997 -13.977 -1.078 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.811 -13.700 -0.213 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.752 -15.214 -1.500 1.00 0.00 N ATOM 0 H ASN A 66 -4.341 -11.705 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.743 -11.495 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.676 -13.331 -2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.368 -12.563 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.259 -16.001 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.057 -15.376 -2.228 1.00 0.00 H new ATOM 982 N TRP A 67 -2.607 -9.955 -1.373 1.00 0.00 N ATOM 983 CA TRP A 67 -1.715 -8.812 -1.472 1.00 0.00 C ATOM 984 C TRP A 67 -0.340 -9.239 -0.954 1.00 0.00 C ATOM 985 O TRP A 67 -0.243 -10.042 -0.027 1.00 0.00 O ATOM 986 CB TRP A 67 -2.286 -7.605 -0.725 1.00 0.00 C ATOM 987 CG TRP A 67 -3.560 -7.033 -1.349 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.828 -7.401 -1.120 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.639 -5.969 -2.321 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.715 -6.655 -1.870 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.969 -5.756 -2.623 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.620 -5.211 -2.925 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.402 -4.788 -3.537 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.070 -4.247 -3.836 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.405 -4.021 -4.151 1.00 0.00 C ATOM 0 H TRP A 67 -2.802 -10.263 -0.420 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.613 -8.491 -2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.496 -7.894 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.529 -6.822 -0.688 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.119 -8.183 -0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.731 -6.747 -1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.573 -5.360 -2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.449 -4.641 -3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.328 -3.636 -4.328 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.672 -3.257 -4.866 1.00 0.00 H new ATOM 1006 N VAL A 68 0.690 -8.683 -1.576 1.00 0.00 N ATOM 1007 CA VAL A 68 2.055 -8.997 -1.190 1.00 0.00 C ATOM 1008 C VAL A 68 2.911 -7.732 -1.288 1.00 0.00 C ATOM 1009 O VAL A 68 2.583 -6.813 -2.036 1.00 0.00 O ATOM 1010 CB VAL A 68 2.589 -10.148 -2.044 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.469 -11.124 -2.411 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.290 -9.621 -3.298 1.00 0.00 C ATOM 0 H VAL A 68 0.606 -8.017 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 68 2.091 -9.335 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 68 3.326 -10.691 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.876 -11.933 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.034 -11.537 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.699 -10.598 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.660 -10.460 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.584 -9.043 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.126 -8.985 -3.007 1.00 0.00 H new ATOM 1022 N ILE A 69 3.992 -7.727 -0.521 1.00 0.00 N ATOM 1023 CA ILE A 69 4.898 -6.591 -0.512 1.00 0.00 C ATOM 1024 C ILE A 69 6.314 -7.070 -0.838 1.00 0.00 C ATOM 1025 O ILE A 69 6.717 -8.154 -0.419 1.00 0.00 O ATOM 1026 CB ILE A 69 4.794 -5.834 0.813 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.590 -4.528 0.762 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.221 -6.720 1.986 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.789 -3.374 1.368 1.00 0.00 C ATOM 0 H ILE A 69 4.261 -8.492 0.098 1.00 0.00 H new ATOM 0 HA ILE A 69 4.619 -5.875 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 69 3.749 -5.569 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.528 -4.648 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.846 -4.294 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.138 -6.158 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.576 -7.597 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.254 -7.037 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.377 -2.458 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.863 -3.241 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.555 -3.600 2.408 1.00 0.00 H new ATOM 1041 N GLN A 70 7.029 -6.240 -1.582 1.00 0.00 N ATOM 1042 CA GLN A 70 8.391 -6.565 -1.968 1.00 0.00 C ATOM 1043 C GLN A 70 9.265 -5.310 -1.940 1.00 0.00 C ATOM 1044 O GLN A 70 8.997 -4.346 -2.657 1.00 0.00 O ATOM 1045 CB GLN A 70 8.427 -7.228 -3.346 1.00 0.00 C ATOM 1046 CG GLN A 70 9.867 -7.419 -3.826 1.00 0.00 C ATOM 1047 CD GLN A 70 10.031 -8.758 -4.548 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.956 -9.817 -3.748 1.00 0.00 O flip ATOM 1049 NE2 GLN A 70 10.214 -8.824 -5.753 1.00 0.00 N flip ATOM 0 H GLN A 70 6.690 -5.342 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 70 8.791 -7.278 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.924 -8.194 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.879 -6.616 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.142 -6.604 -4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.547 -7.375 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.261 -7.970 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.320 -9.733 -6.204 1.00 0.00 H new ATOM 1058 N ASP A 71 10.293 -5.361 -1.106 1.00 0.00 N ATOM 1059 CA ASP A 71 11.208 -4.240 -0.976 1.00 0.00 C ATOM 1060 C ASP A 71 12.161 -4.223 -2.172 1.00 0.00 C ATOM 1061 O ASP A 71 13.023 -5.092 -2.296 1.00 0.00 O ATOM 1062 CB ASP A 71 12.049 -4.360 0.297 1.00 0.00 C ATOM 1063 CG ASP A 71 13.357 -3.567 0.285 1.00 0.00 C ATOM 1064 OD1 ASP A 71 14.270 -3.989 -0.457 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.415 -2.556 1.018 1.00 0.00 O ATOM 0 H ASP A 71 10.513 -6.162 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 71 10.616 -3.326 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.448 -4.028 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.281 -5.412 0.463 1.00 0.00 H new ATOM 1070 N LEU A 72 11.974 -3.225 -3.023 1.00 0.00 N ATOM 1071 CA LEU A 72 12.807 -3.084 -4.206 1.00 0.00 C ATOM 1072 C LEU A 72 14.225 -2.694 -3.782 1.00 0.00 C ATOM 1073 O LEU A 72 14.696 -1.606 -4.107 1.00 0.00 O ATOM 1074 CB LEU A 72 12.170 -2.107 -5.196 1.00 0.00 C ATOM 1075 CG LEU A 72 10.932 -2.615 -5.937 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.110 -3.555 -5.052 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.094 -1.450 -6.467 1.00 0.00 C ATOM 0 H LEU A 72 11.258 -2.506 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 72 12.882 -4.034 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.899 -1.199 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.922 -1.827 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 72 11.264 -3.193 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.236 -3.902 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.721 -4.411 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.787 -3.023 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.220 -1.839 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.771 -0.826 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.693 -0.854 -7.156 1.00 0.00 H new ATOM 1089 N GLY A 73 14.865 -3.605 -3.063 1.00 0.00 N ATOM 1090 CA GLY A 73 16.219 -3.370 -2.592 1.00 0.00 C ATOM 1091 C GLY A 73 16.416 -1.904 -2.200 1.00 0.00 C ATOM 1092 O GLY A 73 17.422 -1.292 -2.556 1.00 0.00 O ATOM 0 H GLY A 73 14.471 -4.507 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.426 -4.010 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.931 -3.641 -3.371 1.00 0.00 H new ATOM 1096 N SER A 74 15.440 -1.383 -1.471 1.00 0.00 N ATOM 1097 CA SER A 74 15.494 -0.001 -1.026 1.00 0.00 C ATOM 1098 C SER A 74 16.678 0.198 -0.078 1.00 0.00 C ATOM 1099 O SER A 74 17.367 -0.760 0.270 1.00 0.00 O ATOM 1100 CB SER A 74 14.189 0.408 -0.339 1.00 0.00 C ATOM 1101 OG SER A 74 14.109 1.817 -0.143 1.00 0.00 O ATOM 0 H SER A 74 14.607 -1.893 -1.177 1.00 0.00 H new ATOM 0 HA SER A 74 15.627 0.635 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.343 0.077 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.112 -0.097 0.624 1.00 0.00 H new ATOM 0 HG SER A 74 14.466 2.278 -0.931 1.00 0.00 H new ATOM 1107 N SER A 75 16.879 1.448 0.313 1.00 0.00 N ATOM 1108 CA SER A 75 17.967 1.785 1.214 1.00 0.00 C ATOM 1109 C SER A 75 17.494 1.691 2.666 1.00 0.00 C ATOM 1110 O SER A 75 17.672 2.627 3.442 1.00 0.00 O ATOM 1111 CB SER A 75 18.510 3.185 0.923 1.00 0.00 C ATOM 1112 OG SER A 75 19.927 3.189 0.775 1.00 0.00 O ATOM 0 H SER A 75 16.306 2.240 0.022 1.00 0.00 H new ATOM 0 HA SER A 75 18.775 1.071 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.050 3.570 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.228 3.858 1.733 1.00 0.00 H new ATOM 0 HG SER A 75 20.234 4.101 0.589 1.00 0.00 H new ATOM 1118 N ASN A 76 16.900 0.551 2.988 1.00 0.00 N ATOM 1119 CA ASN A 76 16.399 0.322 4.332 1.00 0.00 C ATOM 1120 C ASN A 76 15.988 -1.145 4.476 1.00 0.00 C ATOM 1121 O ASN A 76 16.399 -1.818 5.420 1.00 0.00 O ATOM 1122 CB ASN A 76 15.170 1.187 4.617 1.00 0.00 C ATOM 1123 CG ASN A 76 15.450 2.185 5.742 1.00 0.00 C ATOM 1124 OD1 ASN A 76 15.759 1.823 6.865 1.00 0.00 O ATOM 1125 ND2 ASN A 76 15.326 3.459 5.379 1.00 0.00 N ATOM 0 H ASN A 76 16.755 -0.224 2.341 1.00 0.00 H new ATOM 0 HA ASN A 76 17.192 0.579 5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.882 1.724 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.329 0.551 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.493 4.201 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.064 3.693 4.421 1.00 0.00 H new ATOM 1132 N GLY A 77 15.183 -1.597 3.526 1.00 0.00 N ATOM 1133 CA GLY A 77 14.713 -2.972 3.535 1.00 0.00 C ATOM 1134 C GLY A 77 13.253 -3.048 3.986 1.00 0.00 C ATOM 1135 O GLY A 77 12.655 -4.124 3.988 1.00 0.00 O ATOM 0 H GLY A 77 14.844 -1.036 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.812 -3.401 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.335 -3.569 4.202 1.00 0.00 H new ATOM 1139 N THR A 78 12.720 -1.894 4.358 1.00 0.00 N ATOM 1140 CA THR A 78 11.341 -1.816 4.810 1.00 0.00 C ATOM 1141 C THR A 78 11.121 -2.738 6.011 1.00 0.00 C ATOM 1142 O THR A 78 11.826 -3.733 6.172 1.00 0.00 O ATOM 1143 CB THR A 78 10.435 -2.142 3.621 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.825 -1.206 2.620 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.968 -1.805 3.894 1.00 0.00 C ATOM 0 H THR A 78 13.219 -1.004 4.356 1.00 0.00 H new ATOM 0 HA THR A 78 11.095 -0.813 5.160 1.00 0.00 H new ATOM 0 HB THR A 78 10.525 -3.200 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.161 -1.687 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.368 -2.055 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.616 -2.379 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.873 -0.740 4.107 1.00 0.00 H new ATOM 1153 N LEU A 79 10.141 -2.373 6.824 1.00 0.00 N ATOM 1154 CA LEU A 79 9.820 -3.155 8.007 1.00 0.00 C ATOM 1155 C LEU A 79 8.328 -3.493 7.999 1.00 0.00 C ATOM 1156 O LEU A 79 7.503 -2.670 7.606 1.00 0.00 O ATOM 1157 CB LEU A 79 10.278 -2.426 9.271 1.00 0.00 C ATOM 1158 CG LEU A 79 11.783 -2.443 9.547 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.155 -1.423 10.625 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.260 -3.853 9.903 1.00 0.00 C ATOM 0 H LEU A 79 9.559 -1.547 6.688 1.00 0.00 H new ATOM 0 HA LEU A 79 10.362 -4.101 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.952 -1.388 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.767 -2.867 10.127 1.00 0.00 H new ATOM 0 HG LEU A 79 12.300 -2.149 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.230 -1.456 10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.872 -0.424 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.628 -1.661 11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.333 -3.837 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.738 -4.199 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.050 -4.528 9.074 1.00 0.00 H new ATOM 1172 N LEU A 80 8.026 -4.706 8.438 1.00 0.00 N ATOM 1173 CA LEU A 80 6.648 -5.164 8.486 1.00 0.00 C ATOM 1174 C LEU A 80 6.332 -5.669 9.896 1.00 0.00 C ATOM 1175 O LEU A 80 6.738 -6.767 10.271 1.00 0.00 O ATOM 1176 CB LEU A 80 6.388 -6.199 7.390 1.00 0.00 C ATOM 1177 CG LEU A 80 4.935 -6.645 7.220 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.036 -5.461 6.858 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.825 -7.781 6.201 1.00 0.00 C ATOM 0 H LEU A 80 8.713 -5.386 8.764 1.00 0.00 H new ATOM 0 HA LEU A 80 5.965 -4.339 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.735 -5.789 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.996 -7.080 7.598 1.00 0.00 H new ATOM 0 HG LEU A 80 4.584 -7.035 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.009 -5.806 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.081 -4.714 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.377 -5.018 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.781 -8.079 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.201 -7.442 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.414 -8.633 6.541 1.00 0.00 H new ATOM 1191 N ASN A 81 5.611 -4.842 10.638 1.00 0.00 N ATOM 1192 CA ASN A 81 5.236 -5.190 11.998 1.00 0.00 C ATOM 1193 C ASN A 81 6.492 -5.253 12.869 1.00 0.00 C ATOM 1194 O ASN A 81 6.690 -4.409 13.741 1.00 0.00 O ATOM 1195 CB ASN A 81 4.557 -6.561 12.048 1.00 0.00 C ATOM 1196 CG ASN A 81 3.358 -6.614 11.099 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.387 -5.889 11.243 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.479 -7.510 10.123 1.00 0.00 N ATOM 0 H ASN A 81 5.276 -3.931 10.323 1.00 0.00 H new ATOM 0 HA ASN A 81 4.544 -4.431 12.362 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.274 -7.336 11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.229 -6.772 13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.732 -7.622 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.319 -8.085 10.060 1.00 0.00 H new ATOM 1205 N SER A 82 7.309 -6.261 12.601 1.00 0.00 N ATOM 1206 CA SER A 82 8.541 -6.445 13.350 1.00 0.00 C ATOM 1207 C SER A 82 9.500 -7.344 12.567 1.00 0.00 C ATOM 1208 O SER A 82 9.985 -8.345 13.091 1.00 0.00 O ATOM 1209 CB SER A 82 8.262 -7.042 14.731 1.00 0.00 C ATOM 1210 OG SER A 82 8.166 -6.037 15.737 1.00 0.00 O ATOM 0 H SER A 82 7.142 -6.959 11.876 1.00 0.00 H new ATOM 0 HA SER A 82 9.004 -5.468 13.493 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.334 -7.613 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.057 -7.741 14.991 1.00 0.00 H new ATOM 0 HG SER A 82 7.696 -5.257 15.376 1.00 0.00 H new ATOM 1216 N ASN A 83 9.743 -6.955 11.324 1.00 0.00 N ATOM 1217 CA ASN A 83 10.635 -7.713 10.463 1.00 0.00 C ATOM 1218 C ASN A 83 11.015 -6.860 9.251 1.00 0.00 C ATOM 1219 O ASN A 83 10.170 -6.168 8.686 1.00 0.00 O ATOM 1220 CB ASN A 83 9.958 -8.986 9.952 1.00 0.00 C ATOM 1221 CG ASN A 83 10.974 -9.924 9.299 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.603 -9.604 8.304 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.099 -11.098 9.912 1.00 0.00 N ATOM 0 H ASN A 83 9.338 -6.124 10.892 1.00 0.00 H new ATOM 0 HA ASN A 83 11.516 -7.982 11.045 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.465 -9.497 10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.183 -8.726 9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.752 -11.794 9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.542 -11.302 10.742 1.00 0.00 H new ATOM 1230 N ALA A 84 12.287 -6.938 8.888 1.00 0.00 N ATOM 1231 CA ALA A 84 12.789 -6.182 7.753 1.00 0.00 C ATOM 1232 C ALA A 84 12.519 -6.963 6.466 1.00 0.00 C ATOM 1233 O ALA A 84 12.962 -8.102 6.322 1.00 0.00 O ATOM 1234 CB ALA A 84 14.276 -5.886 7.955 1.00 0.00 C ATOM 0 H ALA A 84 12.985 -7.513 9.360 1.00 0.00 H new ATOM 0 HA ALA A 84 12.274 -5.225 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.653 -5.319 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.411 -5.304 8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.826 -6.824 8.038 1.00 0.00 H new ATOM 1240 N LEU A 85 11.794 -6.321 5.563 1.00 0.00 N ATOM 1241 CA LEU A 85 11.460 -6.941 4.292 1.00 0.00 C ATOM 1242 C LEU A 85 12.744 -7.191 3.498 1.00 0.00 C ATOM 1243 O LEU A 85 13.778 -6.587 3.777 1.00 0.00 O ATOM 1244 CB LEU A 85 10.426 -6.099 3.540 1.00 0.00 C ATOM 1245 CG LEU A 85 9.079 -5.909 4.240 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.111 -5.118 3.359 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.492 -7.253 4.674 1.00 0.00 C ATOM 0 H LEU A 85 11.428 -5.377 5.686 1.00 0.00 H new ATOM 0 HA LEU A 85 10.990 -7.911 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.856 -5.116 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.247 -6.561 2.569 1.00 0.00 H new ATOM 0 HG LEU A 85 9.243 -5.323 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.161 -4.997 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.534 -4.137 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.947 -5.656 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.535 -7.089 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.344 -7.885 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.178 -7.744 5.364 1.00 0.00 H new ATOM 1259 N ASP A 86 12.635 -8.083 2.525 1.00 0.00 N ATOM 1260 CA ASP A 86 13.775 -8.421 1.689 1.00 0.00 C ATOM 1261 C ASP A 86 13.399 -8.227 0.219 1.00 0.00 C ATOM 1262 O ASP A 86 12.219 -8.229 -0.129 1.00 0.00 O ATOM 1263 CB ASP A 86 14.186 -9.882 1.883 1.00 0.00 C ATOM 1264 CG ASP A 86 15.659 -10.097 2.239 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.262 -9.136 2.763 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.148 -11.218 1.978 1.00 0.00 O ATOM 0 H ASP A 86 11.775 -8.582 2.296 1.00 0.00 H new ATOM 0 HA ASP A 86 14.604 -7.772 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.570 -10.316 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.965 -10.431 0.967 1.00 0.00 H new ATOM 1271 N PRO A 87 14.451 -8.060 -0.627 1.00 0.00 N ATOM 1272 CA PRO A 87 14.243 -7.865 -2.051 1.00 0.00 C ATOM 1273 C PRO A 87 13.859 -9.179 -2.734 1.00 0.00 C ATOM 1274 O PRO A 87 12.761 -9.304 -3.275 1.00 0.00 O ATOM 1275 CB PRO A 87 15.552 -7.289 -2.565 1.00 0.00 C ATOM 1276 CG PRO A 87 16.595 -7.615 -1.508 1.00 0.00 C ATOM 1277 CD PRO A 87 15.861 -8.052 -0.250 1.00 0.00 C ATOM 0 HA PRO A 87 13.415 -7.190 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.820 -7.727 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.472 -6.212 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.259 -8.406 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.217 -6.744 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.189 -9.039 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.046 -7.365 0.575 1.00 0.00 H new ATOM 1285 N GLU A 88 14.785 -10.126 -2.687 1.00 0.00 N ATOM 1286 CA GLU A 88 14.557 -11.426 -3.294 1.00 0.00 C ATOM 1287 C GLU A 88 13.390 -12.136 -2.606 1.00 0.00 C ATOM 1288 O GLU A 88 12.719 -12.969 -3.214 1.00 0.00 O ATOM 1289 CB GLU A 88 15.824 -12.282 -3.248 1.00 0.00 C ATOM 1290 CG GLU A 88 16.846 -11.806 -4.283 1.00 0.00 C ATOM 1291 CD GLU A 88 17.724 -12.965 -4.759 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.489 -13.481 -3.915 1.00 0.00 O ATOM 1293 OE2 GLU A 88 17.612 -13.308 -5.955 1.00 0.00 O ATOM 0 H GLU A 88 15.694 -10.019 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 88 14.298 -11.276 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.262 -12.236 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.569 -13.325 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.328 -11.364 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.471 -11.025 -3.850 1.00 0.00 H new ATOM 1300 N THR A 89 13.182 -11.781 -1.346 1.00 0.00 N ATOM 1301 CA THR A 89 12.108 -12.375 -0.569 1.00 0.00 C ATOM 1302 C THR A 89 10.868 -11.479 -0.603 1.00 0.00 C ATOM 1303 O THR A 89 10.982 -10.254 -0.620 1.00 0.00 O ATOM 1304 CB THR A 89 12.633 -12.631 0.845 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.978 -13.057 0.644 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.959 -13.832 1.511 1.00 0.00 C ATOM 0 H THR A 89 13.739 -11.089 -0.844 1.00 0.00 H new ATOM 0 HA THR A 89 11.794 -13.329 -0.992 1.00 0.00 H new ATOM 0 HB THR A 89 12.478 -11.742 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.584 -12.479 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 89 12.368 -13.970 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.885 -13.656 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.143 -14.728 0.918 1.00 0.00 H new ATOM 1314 N SER A 90 9.711 -12.125 -0.611 1.00 0.00 N ATOM 1315 CA SER A 90 8.451 -11.402 -0.643 1.00 0.00 C ATOM 1316 C SER A 90 7.550 -11.870 0.502 1.00 0.00 C ATOM 1317 O SER A 90 7.562 -13.045 0.865 1.00 0.00 O ATOM 1318 CB SER A 90 7.742 -11.589 -1.986 1.00 0.00 C ATOM 1319 OG SER A 90 7.331 -12.938 -2.190 1.00 0.00 O ATOM 0 H SER A 90 9.620 -13.141 -0.596 1.00 0.00 H new ATOM 0 HA SER A 90 8.663 -10.340 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.872 -10.934 -2.031 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.409 -11.287 -2.793 1.00 0.00 H new ATOM 0 HG SER A 90 6.881 -13.015 -3.057 1.00 0.00 H new ATOM 1325 N VAL A 91 6.791 -10.926 1.038 1.00 0.00 N ATOM 1326 CA VAL A 91 5.886 -11.228 2.135 1.00 0.00 C ATOM 1327 C VAL A 91 4.456 -10.869 1.723 1.00 0.00 C ATOM 1328 O VAL A 91 4.244 -9.938 0.948 1.00 0.00 O ATOM 1329 CB VAL A 91 6.341 -10.504 3.403 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.669 -11.097 4.644 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.865 -10.538 3.536 1.00 0.00 C ATOM 0 H VAL A 91 6.784 -9.952 0.734 1.00 0.00 H new ATOM 0 HA VAL A 91 5.902 -12.294 2.362 1.00 0.00 H new ATOM 0 HB VAL A 91 6.035 -9.461 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.010 -10.564 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.587 -10.998 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.931 -12.151 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.163 -10.016 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.203 -11.573 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.317 -10.049 2.673 1.00 0.00 H new ATOM 1341 N ASN A 92 3.512 -11.628 2.260 1.00 0.00 N ATOM 1342 CA ASN A 92 2.109 -11.402 1.959 1.00 0.00 C ATOM 1343 C ASN A 92 1.527 -10.411 2.969 1.00 0.00 C ATOM 1344 O ASN A 92 1.582 -10.645 4.175 1.00 0.00 O ATOM 1345 CB ASN A 92 1.308 -12.702 2.058 1.00 0.00 C ATOM 1346 CG ASN A 92 1.268 -13.213 3.499 1.00 0.00 C ATOM 1347 OD1 ASN A 92 2.247 -13.700 4.040 1.00 0.00 O ATOM 1348 ND2 ASN A 92 0.084 -13.075 4.089 1.00 0.00 N ATOM 0 H ASN A 92 3.692 -12.400 2.902 1.00 0.00 H new ATOM 0 HA ASN A 92 2.041 -11.012 0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.292 -12.536 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.754 -13.458 1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.045 -13.386 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.695 -12.659 3.579 1.00 0.00 H new ATOM 1355 N LEU A 93 0.985 -9.325 2.439 1.00 0.00 N ATOM 1356 CA LEU A 93 0.394 -8.297 3.279 1.00 0.00 C ATOM 1357 C LEU A 93 -0.684 -8.926 4.164 1.00 0.00 C ATOM 1358 O LEU A 93 -0.998 -10.106 4.023 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.113 -7.133 2.425 1.00 0.00 C ATOM 1360 CG LEU A 93 0.942 -6.119 1.978 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.327 -5.051 1.072 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.658 -5.506 3.183 1.00 0.00 C ATOM 0 H LEU A 93 0.943 -9.134 1.438 1.00 0.00 H new ATOM 0 HA LEU A 93 1.145 -7.870 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.594 -7.543 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.882 -6.603 2.988 1.00 0.00 H new ATOM 0 HG LEU A 93 1.694 -6.645 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.098 -4.343 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.098 -5.525 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.458 -4.523 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.403 -4.789 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.932 -4.998 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.150 -6.294 3.753 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.221 -8.108 5.059 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.257 -8.570 5.967 1.00 0.00 C ATOM 1376 C GLY A 94 -2.940 -7.391 6.663 1.00 0.00 C ATOM 1377 O GLY A 94 -2.348 -6.323 6.808 1.00 0.00 O ATOM 0 H GLY A 94 -0.958 -7.129 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.997 -9.150 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.822 -9.235 6.713 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.177 -7.625 7.076 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.947 -6.596 7.754 1.00 0.00 C ATOM 1383 C ASP A 95 -4.350 -6.348 9.141 1.00 0.00 C ATOM 1384 O ASP A 95 -4.351 -7.239 9.989 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.403 -7.028 7.936 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.129 -6.375 9.114 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.501 -5.190 8.966 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.296 -7.074 10.136 1.00 0.00 O ATOM 0 H ASP A 95 -4.665 -8.512 6.954 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.912 -5.693 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.950 -6.802 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.432 -8.110 8.066 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.855 -5.134 9.329 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.256 -4.758 10.598 1.00 0.00 C ATOM 1395 C GLY A 96 -1.729 -4.828 10.526 1.00 0.00 C ATOM 1396 O GLY A 96 -1.053 -4.777 11.553 1.00 0.00 O ATOM 0 H GLY A 96 -3.856 -4.397 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.565 -3.747 10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.617 -5.420 11.385 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.231 -4.944 9.304 1.00 0.00 N ATOM 1401 CA ASP A 97 0.203 -5.021 9.085 1.00 0.00 C ATOM 1402 C ASP A 97 0.778 -3.606 8.992 1.00 0.00 C ATOM 1403 O ASP A 97 0.363 -2.819 8.143 1.00 0.00 O ATOM 1404 CB ASP A 97 0.522 -5.748 7.777 1.00 0.00 C ATOM 1405 CG ASP A 97 0.266 -7.256 7.796 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.499 -7.691 8.684 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.840 -7.941 6.922 1.00 0.00 O ATOM 0 H ASP A 97 -1.795 -4.987 8.455 1.00 0.00 H new ATOM 0 HA ASP A 97 0.642 -5.569 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.072 -5.304 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.569 -5.576 7.529 1.00 0.00 H new ATOM 1412 N VAL A 98 1.723 -3.326 9.878 1.00 0.00 N ATOM 1413 CA VAL A 98 2.358 -2.020 9.906 1.00 0.00 C ATOM 1414 C VAL A 98 3.618 -2.052 9.039 1.00 0.00 C ATOM 1415 O VAL A 98 4.510 -2.868 9.264 1.00 0.00 O ATOM 1416 CB VAL A 98 2.637 -1.605 11.352 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.747 -0.554 11.416 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.364 -1.100 12.033 1.00 0.00 C ATOM 0 H VAL A 98 2.064 -3.981 10.581 1.00 0.00 H new ATOM 0 HA VAL A 98 1.695 -1.263 9.487 1.00 0.00 H new ATOM 0 HB VAL A 98 2.979 -2.487 11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.926 -0.276 12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.662 -0.964 10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.446 0.328 10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.590 -0.812 13.060 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.979 -0.237 11.490 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.614 -1.891 12.035 1.00 0.00 H new ATOM 1428 N ILE A 99 3.652 -1.153 8.066 1.00 0.00 N ATOM 1429 CA ILE A 99 4.788 -1.067 7.165 1.00 0.00 C ATOM 1430 C ILE A 99 5.640 0.147 7.539 1.00 0.00 C ATOM 1431 O ILE A 99 5.251 1.285 7.283 1.00 0.00 O ATOM 1432 CB ILE A 99 4.318 -1.064 5.709 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.298 -2.177 5.459 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.506 -1.149 4.749 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.572 -1.967 4.129 1.00 0.00 C ATOM 0 H ILE A 99 2.910 -0.477 7.882 1.00 0.00 H new ATOM 0 HA ILE A 99 5.424 -1.946 7.269 1.00 0.00 H new ATOM 0 HB ILE A 99 3.815 -0.117 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.803 -3.143 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.574 -2.201 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.144 -1.145 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.162 -0.293 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.059 -2.069 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.853 -2.772 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.048 -1.011 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.297 -1.968 3.315 1.00 0.00 H new ATOM 1447 N LYS A 100 6.787 -0.137 8.138 1.00 0.00 N ATOM 1448 CA LYS A 100 7.698 0.918 8.549 1.00 0.00 C ATOM 1449 C LYS A 100 8.812 1.058 7.510 1.00 0.00 C ATOM 1450 O LYS A 100 9.710 0.221 7.440 1.00 0.00 O ATOM 1451 CB LYS A 100 8.210 0.661 9.968 1.00 0.00 C ATOM 1452 CG LYS A 100 7.361 1.406 11.001 1.00 0.00 C ATOM 1453 CD LYS A 100 7.506 0.776 12.387 1.00 0.00 C ATOM 1454 CE LYS A 100 7.153 -0.712 12.353 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.409 -1.097 13.573 1.00 0.00 N ATOM 0 H LYS A 100 7.106 -1.082 8.349 1.00 0.00 H new ATOM 0 HA LYS A 100 7.178 1.875 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.189 -0.408 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.249 0.981 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.664 2.452 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.314 1.389 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.529 0.903 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.856 1.291 13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.552 -0.929 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.063 -1.306 12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.003 -2.046 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.056 -1.103 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.644 -0.413 13.744 1.00 0.00 H new ATOM 1469 N LEU A 101 8.717 2.124 6.728 1.00 0.00 N ATOM 1470 CA LEU A 101 9.706 2.385 5.696 1.00 0.00 C ATOM 1471 C LEU A 101 10.280 3.790 5.890 1.00 0.00 C ATOM 1472 O LEU A 101 9.744 4.583 6.662 1.00 0.00 O ATOM 1473 CB LEU A 101 9.105 2.153 4.308 1.00 0.00 C ATOM 1474 CG LEU A 101 8.099 3.201 3.828 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.223 3.430 2.321 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.674 2.820 4.235 1.00 0.00 C ATOM 0 H LEU A 101 7.971 2.816 6.789 1.00 0.00 H new ATOM 0 HA LEU A 101 10.538 1.686 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.919 2.102 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.615 1.179 4.304 1.00 0.00 H new ATOM 0 HG LEU A 101 8.331 4.147 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.497 4.179 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.229 3.779 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.032 2.495 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.979 3.581 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.414 1.858 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.613 2.749 5.321 1.00 0.00 H new ATOM 1488 N GLY A 102 11.364 4.055 5.175 1.00 0.00 N ATOM 1489 CA GLY A 102 12.018 5.350 5.259 1.00 0.00 C ATOM 1490 C GLY A 102 12.697 5.534 6.618 1.00 0.00 C ATOM 1491 O GLY A 102 13.591 4.769 6.977 1.00 0.00 O ATOM 0 H GLY A 102 11.806 3.395 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.758 5.440 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.285 6.142 5.104 1.00 0.00 H new ATOM 1495 N GLU A 103 12.248 6.553 7.335 1.00 0.00 N ATOM 1496 CA GLU A 103 12.802 6.848 8.645 1.00 0.00 C ATOM 1497 C GLU A 103 11.748 6.618 9.731 1.00 0.00 C ATOM 1498 O GLU A 103 11.861 5.683 10.523 1.00 0.00 O ATOM 1499 CB GLU A 103 13.345 8.277 8.703 1.00 0.00 C ATOM 1500 CG GLU A 103 14.361 8.523 7.586 1.00 0.00 C ATOM 1501 CD GLU A 103 15.408 9.553 8.013 1.00 0.00 C ATOM 1502 OE1 GLU A 103 16.402 9.126 8.639 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.190 10.745 7.706 1.00 0.00 O ATOM 0 H GLU A 103 11.506 7.185 7.033 1.00 0.00 H new ATOM 0 HA GLU A 103 13.636 6.170 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.522 8.986 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.814 8.453 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.853 7.586 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.846 8.873 6.692 1.00 0.00 H new ATOM 1510 N TYR A 104 10.747 7.486 9.732 1.00 0.00 N ATOM 1511 CA TYR A 104 9.674 7.389 10.707 1.00 0.00 C ATOM 1512 C TYR A 104 8.308 7.379 10.019 1.00 0.00 C ATOM 1513 O TYR A 104 7.410 8.126 10.403 1.00 0.00 O ATOM 1514 CB TYR A 104 9.783 8.641 11.580 1.00 0.00 C ATOM 1515 CG TYR A 104 11.025 8.671 12.473 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.057 7.929 13.636 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.113 9.441 12.115 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.226 7.958 14.476 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.282 9.469 12.955 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.281 8.726 14.095 1.00 0.00 C ATOM 1521 OH TYR A 104 14.385 8.753 14.888 1.00 0.00 O ATOM 0 H TYR A 104 10.656 8.260 9.073 1.00 0.00 H new ATOM 0 HA TYR A 104 9.761 6.468 11.284 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.790 9.521 10.936 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.895 8.712 12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.205 7.327 13.916 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.088 10.022 11.205 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.264 7.382 15.389 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.141 10.066 12.686 1.00 0.00 H new ATOM 0 HH TYR A 104 15.059 9.343 14.490 1.00 0.00 H new ATOM 1531 N THR A 105 8.193 6.523 9.014 1.00 0.00 N ATOM 1532 CA THR A 105 6.951 6.405 8.269 1.00 0.00 C ATOM 1533 C THR A 105 6.348 5.011 8.455 1.00 0.00 C ATOM 1534 O THR A 105 7.005 4.006 8.188 1.00 0.00 O ATOM 1535 CB THR A 105 7.242 6.752 6.808 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.257 8.176 6.785 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.088 6.376 5.876 1.00 0.00 C ATOM 0 H THR A 105 8.940 5.904 8.698 1.00 0.00 H new ATOM 0 HA THR A 105 6.199 7.102 8.640 1.00 0.00 H new ATOM 0 HB THR A 105 8.149 6.240 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.740 8.485 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.346 6.643 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.906 5.303 5.936 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.188 6.914 6.176 1.00 0.00 H new ATOM 1545 N SER A 106 5.104 4.995 8.911 1.00 0.00 N ATOM 1546 CA SER A 106 4.405 3.742 9.135 1.00 0.00 C ATOM 1547 C SER A 106 3.103 3.717 8.332 1.00 0.00 C ATOM 1548 O SER A 106 2.392 4.718 8.266 1.00 0.00 O ATOM 1549 CB SER A 106 4.115 3.531 10.623 1.00 0.00 C ATOM 1550 OG SER A 106 5.289 3.663 11.419 1.00 0.00 O ATOM 0 H SER A 106 4.562 5.831 9.131 1.00 0.00 H new ATOM 0 HA SER A 106 5.047 2.928 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.370 4.255 10.953 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.685 2.540 10.772 1.00 0.00 H new ATOM 0 HG SER A 106 5.062 3.523 12.362 1.00 0.00 H new ATOM 1556 N ILE A 107 2.831 2.563 7.741 1.00 0.00 N ATOM 1557 CA ILE A 107 1.627 2.395 6.945 1.00 0.00 C ATOM 1558 C ILE A 107 0.835 1.197 7.472 1.00 0.00 C ATOM 1559 O ILE A 107 1.383 0.107 7.629 1.00 0.00 O ATOM 1560 CB ILE A 107 1.978 2.295 5.459 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.969 3.388 5.054 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.715 2.319 4.595 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.220 3.369 3.545 1.00 0.00 C ATOM 0 H ILE A 107 3.424 1.735 7.797 1.00 0.00 H new ATOM 0 HA ILE A 107 0.983 3.269 7.039 1.00 0.00 H new ATOM 0 HB ILE A 107 2.468 1.337 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.581 4.363 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.910 3.245 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.992 2.247 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.076 1.477 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.176 3.251 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.928 4.156 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.630 2.401 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.281 3.536 3.018 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.441 1.440 7.731 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.314 0.395 8.238 1.00 0.00 C ATOM 1577 C LEU A 108 -2.073 -0.239 7.070 1.00 0.00 C ATOM 1578 O LEU A 108 -2.641 0.466 6.238 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.224 0.943 9.338 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.548 -0.020 10.483 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.961 0.745 11.742 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.606 -1.040 10.058 1.00 0.00 C ATOM 0 H LEU A 108 -0.892 2.346 7.599 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.729 -0.396 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.756 1.833 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.161 1.262 8.882 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.644 -0.577 10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.186 0.038 12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.146 1.398 12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.846 1.345 11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.818 -1.712 10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.519 -0.519 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.236 -1.617 9.211 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.060 -1.564 7.047 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.740 -2.301 5.996 1.00 0.00 C ATOM 1596 C VAL A 109 -4.112 -2.753 6.501 1.00 0.00 C ATOM 1597 O VAL A 109 -4.202 -3.537 7.445 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.865 -3.463 5.521 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.661 -4.419 4.629 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.618 -2.950 4.799 1.00 0.00 C ATOM 0 H VAL A 109 -1.589 -2.146 7.740 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.907 -1.662 5.129 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.538 -4.018 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.016 -5.236 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.504 -4.823 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.030 -3.880 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.013 -3.796 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.916 -2.360 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.035 -2.328 5.478 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.145 -2.239 5.851 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.508 -2.580 6.223 1.00 0.00 C ATOM 1612 C ASN A 110 -7.241 -3.140 5.001 1.00 0.00 C ATOM 1613 O ASN A 110 -7.139 -2.589 3.906 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.272 -1.347 6.708 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.377 -1.332 8.234 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -6.228 -1.578 8.858 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.431 -1.112 8.807 1.00 0.00 N flip ATOM 0 H ASN A 110 -5.066 -1.589 5.069 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.464 -3.316 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.767 -0.444 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.271 -1.338 6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.277 -0.930 8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.466 -1.110 9.826 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.962 -4.227 5.231 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.711 -4.867 4.163 1.00 0.00 C ATOM 1626 C PHE A 111 -10.184 -4.452 4.201 1.00 0.00 C ATOM 1627 O PHE A 111 -10.932 -4.887 5.075 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.613 -6.377 4.390 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.240 -6.967 4.062 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.552 -6.525 2.975 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.708 -7.934 4.856 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.278 -7.073 2.670 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.434 -8.482 4.551 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.746 -8.040 3.465 1.00 0.00 C ATOM 0 H PHE A 111 -8.044 -4.681 6.141 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.303 -4.574 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.851 -6.594 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.367 -6.876 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.975 -5.757 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.254 -8.285 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.732 -6.722 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.012 -9.250 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.777 -8.457 3.233 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.555 -3.616 3.243 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.925 -3.138 3.156 1.00 0.00 C ATOM 1646 C VAL A 112 -12.738 -4.091 2.278 1.00 0.00 C ATOM 1647 O VAL A 112 -12.454 -4.241 1.090 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.944 -1.695 2.651 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.299 -1.037 2.920 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.807 -0.881 3.272 1.00 0.00 C ATOM 0 H VAL A 112 -9.931 -3.257 2.520 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.390 -3.129 4.142 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.790 -1.717 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.285 -0.011 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.083 -1.596 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.496 -1.034 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.844 0.141 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.916 -0.873 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.850 -1.331 3.007 1.00 0.00 H new ATOM 1660 N SER A 113 -13.734 -4.709 2.895 1.00 0.00 N ATOM 1661 CA SER A 113 -14.591 -5.643 2.183 1.00 0.00 C ATOM 1662 C SER A 113 -15.979 -5.032 1.985 1.00 0.00 C ATOM 1663 O SER A 113 -16.887 -5.275 2.779 1.00 0.00 O ATOM 1664 CB SER A 113 -14.698 -6.972 2.933 1.00 0.00 C ATOM 1665 OG SER A 113 -14.295 -8.075 2.124 1.00 0.00 O ATOM 0 H SER A 113 -13.967 -4.582 3.880 1.00 0.00 H new ATOM 0 HA SER A 113 -14.146 -5.842 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.078 -6.934 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.726 -7.121 3.263 1.00 0.00 H new ATOM 0 HG SER A 113 -14.376 -8.905 2.639 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.101 -4.251 0.921 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.363 -3.604 0.609 1.00 0.00 C ATOM 1673 C GLY A 114 -17.164 -2.109 0.349 1.00 0.00 C ATOM 1674 O GLY A 114 -16.193 -1.518 0.819 1.00 0.00 O ATOM 0 H GLY A 114 -15.346 -4.052 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.809 -4.073 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.061 -3.743 1.435 1.00 0.00 H new ATOM 1678 N PRO A 115 -18.124 -1.526 -0.418 1.00 0.00 N ATOM 1679 CA PRO A 115 -18.063 -0.111 -0.745 1.00 0.00 C ATOM 1680 C PRO A 115 -18.453 0.748 0.459 1.00 0.00 C ATOM 1681 O PRO A 115 -19.559 0.622 0.983 1.00 0.00 O ATOM 1682 CB PRO A 115 -19.003 0.060 -1.927 1.00 0.00 C ATOM 1683 CG PRO A 115 -19.905 -1.164 -1.922 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.288 -2.194 -0.991 1.00 0.00 C ATOM 0 HA PRO A 115 -17.056 0.218 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -19.587 0.976 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -18.447 0.131 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -20.907 -0.898 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.003 -1.570 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -19.991 -2.498 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.001 -3.095 -1.532 1.00 0.00 H new ATOM 1692 N SER A 116 -17.524 1.602 0.863 1.00 0.00 N ATOM 1693 CA SER A 116 -17.758 2.481 1.996 1.00 0.00 C ATOM 1694 C SER A 116 -17.006 3.799 1.798 1.00 0.00 C ATOM 1695 O SER A 116 -15.826 3.900 2.130 1.00 0.00 O ATOM 1696 CB SER A 116 -17.330 1.817 3.306 1.00 0.00 C ATOM 1697 OG SER A 116 -17.191 2.763 4.363 1.00 0.00 O ATOM 0 H SER A 116 -16.608 1.704 0.426 1.00 0.00 H new ATOM 0 HA SER A 116 -18.827 2.685 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.066 1.064 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.383 1.298 3.157 1.00 0.00 H new ATOM 0 HG SER A 116 -16.918 2.300 5.183 1.00 0.00 H new ATOM 1703 N SER A 117 -17.720 4.776 1.259 1.00 0.00 N ATOM 1704 CA SER A 117 -17.135 6.083 1.013 1.00 0.00 C ATOM 1705 C SER A 117 -17.201 6.933 2.284 1.00 0.00 C ATOM 1706 O SER A 117 -16.570 7.985 2.364 1.00 0.00 O ATOM 1707 CB SER A 117 -17.845 6.796 -0.140 1.00 0.00 C ATOM 1708 OG SER A 117 -19.203 7.095 0.172 1.00 0.00 O ATOM 0 H SER A 117 -18.699 4.689 0.986 1.00 0.00 H new ATOM 0 HA SER A 117 -16.092 5.943 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.316 7.719 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.807 6.170 -1.031 1.00 0.00 H new ATOM 0 HG SER A 117 -19.621 7.551 -0.588 1.00 0.00 H new ATOM 1714 N GLY A 118 -17.971 6.444 3.245 1.00 0.00 N ATOM 1715 CA GLY A 118 -18.128 7.145 4.508 1.00 0.00 C ATOM 1716 C GLY A 118 -18.751 6.234 5.567 1.00 0.00 C ATOM 1717 O GLY A 118 -19.544 5.352 5.244 1.00 0.00 O ATOM 0 H GLY A 118 -18.493 5.571 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.157 7.500 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -18.756 8.024 4.364 1.00 0.00 H new TER 1721 GLY A 118